4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C294H169N15O — CID 159197119

IUPAC4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1cc2ccc3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc4ccc(c1)c2c34.c1cc2cccc3c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)ccc65)cc5cccc(c(c1)c23)c54.c1ccc2c(c1)c1ccccc1c1c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cccc21.c1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)ccc21.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cc12
InChIInChI=1S/C62H35N3.2C60H35N3.C58H33N3.C54H31N3O/c1-6-24-56-42(14-1)49-20-10-21-50-45-28-27-40(35-59(45)65(56)62(49)50)63-54-22-4-2-15-43(54)51-32-37(25-29-57(51)63)38-26-30-58-52(33-38)44-16-3-5-23-55(44)64(58)41-31-39-13-9-18-47-46-17-7-11-36-12-8-19-48(60(36)46)53(34-41)61(39)47;1-2-14-41-39(13-1)40-15-3-4-19-46(40)59-47(41)20-12-26-57(59)62-53-24-9-7-18-44(53)51-34-37(28-32-56(51)62)36-27-31-55-50(33-36)43-17-6-8-23-52(43)61(55)38-29-30-45-49-22-11-21-48-42-16-5-10-25-54(42)63(60(48)49)58(45)35-38;1-2-14-42-40(12-1)41-13-3-4-15-43(41)51-34-38(26-28-44(42)51)61-54-21-8-6-17-46(54)52-32-36(24-30-57(52)61)37-25-31-58-53(33-37)47-18-7-9-22-55(47)62(58)39-27-29-48-50-20-11-19-49-45-16-5-10-23-56(45)63(60(49)50)59(48)35-39;1-6-18-52-42(11-1)46-14-8-15-47-45-26-25-40(33-55(45)61(52)58(46)47)59-50-16-4-2-12-43(50)48-31-36(23-27-53(48)59)37-24-28-54-49(32-37)44-13-3-5-17-51(44)60(54)41-29-38-21-19-34-9-7-10-35-20-22-39(30-41)57(38)56(34)35;1-7-18-48-36(10-1)41-14-9-15-42-39-24-22-35(31-51(39)57(48)54(41)42)56-47-17-6-3-12-38(47)44-29-33(21-26-50(44)56)32-20-25-49-43(28-32)37-11-2-5-16-46(37)55(49)34-23-27-53-45(30-34)40-13-4-8-19-52(40)58-53/h1-35H;2*1-35H;1-33H;1-31H
InChIKeyKOUNXPUGZVKRNK-UHFFFAOYSA-N
MW3927.69 g/mol
LogP79.26
Rot. Bonds15

About 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 159197119) has the molecular formula C294H169N15O and a molecular weight of 3927.69 g/mol. Its IUPAC name is 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID159197119
Molecular FormulaC294H169N15O
Molecular Weight3927.69 g/mol
Exact Mass3924.36
IUPAC Name4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1cc2ccc3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc4ccc(c1)c2c34.c1cc2cccc3c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)ccc65)cc5cccc(c(c1)c23)c54.c1ccc2c(c1)c1ccccc1c1c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cccc21.c1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)ccc21.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cc12
InChIInChI=1S/C62H35N3.2C60H35N3.C58H33N3.C54H31N3O/c1-6-24-56-42(14-1)49-20-10-21-50-45-28-27-40(35-59(45)65(56)62(49)50)63-54-22-4-2-15-43(54)51-32-37(25-29-57(51)63)38-26-30-58-52(33-38)44-16-3-5-23-55(44)64(58)41-31-39-13-9-18-47-46-17-7-11-36-12-8-19-48(60(36)46)53(34-41)61(39)47;1-2-14-41-39(13-1)40-15-3-4-19-46(40)59-47(41)20-12-26-57(59)62-53-24-9-7-18-44(53)51-34-37(28-32-56(51)62)36-27-31-55-50(33-36)43-17-6-8-23-52(43)61(55)38-29-30-45-49-22-11-21-48-42-16-5-10-25-54(42)63(60(48)49)58(45)35-38;1-2-14-42-40(12-1)41-13-3-4-15-43(41)51-34-38(26-28-44(42)51)61-54-21-8-6-17-46(54)52-32-36(24-30-57(52)61)37-25-31-58-53(33-37)47-18-7-9-22-55(47)62(58)39-27-29-48-50-20-11-19-49-45-16-5-10-23-56(45)63(60(49)50)59(48)35-39;1-6-18-52-42(11-1)46-14-8-15-47-45-26-25-40(33-55(45)61(52)58(46)47)59-50-16-4-2-12-43(50)48-31-36(23-27-53(48)59)37-24-28-54-49(32-37)44-13-3-5-17-51(44)60(54)41-29-38-21-19-34-9-7-10-35-20-22-39(30-41)57(38)56(34)35;1-7-18-48-36(10-1)41-14-9-15-42-39-24-22-35(31-51(39)57(48)54(41)42)56-47-17-6-3-12-38(47)44-29-33(21-26-50(44)56)32-20-25-49-43(28-32)37-11-2-5-16-46(37)55(49)34-23-27-53-45(30-34)40-13-4-8-19-52(40)58-53/h1-35H;2*1-35H;1-33H;1-31H
InChIKeyKOUNXPUGZVKRNK-UHFFFAOYSA-N
XLogP79.26
TPSA84.49 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003927.69
LogP ≤ 579.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

5-(9-dibenzofuran-3-ylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122594946
8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole
CID 167243807
3-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21,23,25,27(31),28-pentadecaene
CID 168811827
9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole
CID 154600343
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;bis(9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole)
CID 161012876
4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179695
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
4-dibenzofuran-2-yl-1,4-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25,27-tridecaene
CID 118330989
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-phenanthren-9-ylcarbazole;3-(9-chrysen-2-ylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 158409298

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 159197119) is 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1cc2ccc3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc4ccc(c1)c2c34.c1cc2cccc3c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)ccc65)cc5cccc(c(c1)c23)c54.c1ccc2c(c1)c1ccccc1c1c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cccc21.c1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)ccc21.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cc12.
What is the InChIKey of 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is KOUNXPUGZVKRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H35N3.2C60H35N3.C58H33N3.C54H31N3O/c1-6-24-56-42(14-1)49-20-10-21-50-45-28-27-40(35-59(45)65(56)62(49)50)63-54-22-4-2-15-43(54)51-32-37(25-29-57(51)63)38-26-30-58-52(33-38)44-16-3-5-23-55(44)64(58)41-31-39-13-9-18-47-46-17-7-11-36-12-8-19-48(60(36)46)53(34-41)61(39)47;1-2-14-41-39(13-1)40-15-3-4-19-46(40)59-47(41)20-12-26-57(59)62-53-24-9-7-18-44(53)51-34-37(28-32-56(51)62)36-27-31-55-50(33-36)43-17-6-8-23-52(43)61(55)38-29-30-45-49-22-11-21-48-42-16-5-10-25-54(42)63(60(48)49)58(45)35-38;1-2-14-42-40(12-1)41-13-3-4-15-43(41)51-34-38(26-28-44(42)51)61-54-21-8-6-17-46(54)52-32-36(24-30-57(52)61)37-25-31-58-53(33-37)47-18-7-9-22-55(47)62(58)39-27-29-48-50-20-11-19-49-45-16-5-10-23-56(45)63(60(49)50)59(48)35-39;1-6-18-52-42(11-1)46-14-8-15-47-45-26-25-40(33-55(45)61(52)58(46)47)59-50-16-4-2-12-43(50)48-31-36(23-27-53(48)59)37-24-28-54-49(32-37)44-13-3-5-17-51(44)60(54)41-29-38-21-19-34-9-7-10-35-20-22-39(30-41)57(38)56(34)35;1-7-18-48-36(10-1)41-14-9-15-42-39-24-22-35(31-51(39)57(48)54(41)42)56-47-17-6-3-12-38(47)44-29-33(21-26-50(44)56)32-20-25-49-43(28-32)37-11-2-5-16-46(37)55(49)34-23-27-53-45(30-34)40-13-4-8-19-52(40)58-53/h1-35H;2*1-35H;1-33H;1-31H.
What are the key properties of 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 3927.69 g/mol, XLogP of 79.26, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-perylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-pyren-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-1-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 159197119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).