2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene

C217H130N14 — CID 161334745

IUPAC2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
SMILESc1cc2c3c(ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3c1)-c1cnccc1-2.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4c(cccc24)-c2ccncc2-3)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7c(cccc57)-c5ccncc5-6)ccc43)c2)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccncc4-5)cc3c3cc4ccccc4cc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccncc4-5)ccc32)cc1
InChIInChI=1S/C51H31N3.C49H29N3.C45H27N3.C39H23N3.C33H20N2/c1-2-10-32(11-3-1)33-12-8-13-36(28-33)53-46-18-6-4-14-38(46)43-29-34(20-23-49(43)53)35-21-24-50-44(30-35)39-15-5-7-19-47(39)54(50)48-25-22-41-45-31-52-27-26-37(45)40-16-9-17-42(48)51(40)41;1-2-11-34(12-3-1)51-46-20-17-33(27-41(46)42-25-30-9-4-5-10-31(30)28-48(42)51)32-18-21-47-40(26-32)36-13-6-7-16-44(36)52(47)45-22-19-38-43-29-50-24-23-35(43)37-14-8-15-39(45)49(37)38;1-2-9-30(10-3-1)47-40-15-6-4-11-32(40)37-25-28(17-20-43(37)47)29-18-21-44-38(26-29)33-12-5-7-16-41(33)48(44)42-22-19-35-39-27-46-24-23-31(39)34-13-8-14-36(42)45(34)35;1-4-13-34-26(8-1)27-9-2-5-14-35(27)41(34)24-16-18-38-32(22-24)28-10-3-6-15-36(28)42(38)37-19-17-30-33-23-40-21-20-25(33)29-11-7-12-31(37)39(29)30;1-2-7-21(8-3-1)22-13-15-32-28(19-22)24-9-4-5-12-30(24)35(32)31-16-14-26-29-20-34-18-17-23(29)25-10-6-11-27(31)33(25)26/h1-31H;1-29H;1-27H;1-23H;1-20H
InChIKeyVLWMGHKGBRJVQW-UHFFFAOYSA-N
MW2933.52 g/mol
LogP56.77
Rot. Bonds14

About 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene

2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene (PubChem CID 161334745) has the molecular formula C217H130N14 and a molecular weight of 2933.52 g/mol. Its IUPAC name is 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene.

Molecular Properties

Compound Name2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
PubChem CID161334745
Molecular FormulaC217H130N14
Molecular Weight2933.52 g/mol
Exact Mass2931.06
IUPAC Name2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
SMILESc1cc2c3c(ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3c1)-c1cnccc1-2.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4c(cccc24)-c2ccncc2-3)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7c(cccc57)-c5ccncc5-6)ccc43)c2)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccncc4-5)cc3c3cc4ccccc4cc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccncc4-5)ccc32)cc1
InChIInChI=1S/C51H31N3.C49H29N3.C45H27N3.C39H23N3.C33H20N2/c1-2-10-32(11-3-1)33-12-8-13-36(28-33)53-46-18-6-4-14-38(46)43-29-34(20-23-49(43)53)35-21-24-50-44(30-35)39-15-5-7-19-47(39)54(50)48-25-22-41-45-31-52-27-26-37(45)40-16-9-17-42(48)51(40)41;1-2-11-34(12-3-1)51-46-20-17-33(27-41(46)42-25-30-9-4-5-10-31(30)28-48(42)51)32-18-21-47-40(26-32)36-13-6-7-16-44(36)52(47)45-22-19-38-43-29-50-24-23-35(43)37-14-8-15-39(45)49(37)38;1-2-9-30(10-3-1)47-40-15-6-4-11-32(40)37-25-28(17-20-43(37)47)29-18-21-44-38(26-29)33-12-5-7-16-41(33)48(44)42-22-19-35-39-27-46-24-23-31(39)34-13-8-14-36(42)45(34)35;1-4-13-34-26(8-1)27-9-2-5-14-35(27)41(34)24-16-18-38-32(22-24)28-10-3-6-15-36(28)42(38)37-19-17-30-33-23-40-21-20-25(33)29-11-7-12-31(37)39(29)30;1-2-7-21(8-3-1)22-13-15-32-28(19-22)24-9-4-5-12-30(24)35(32)31-16-14-26-29-20-34-18-17-23(29)25-10-6-11-27(31)33(25)26/h1-31H;1-29H;1-27H;1-23H;1-20H
InChIKeyVLWMGHKGBRJVQW-UHFFFAOYSA-N
XLogP56.77
TPSA108.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002933.52
LogP ≤ 556.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene with MolForge

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Related Compounds

10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 130326341
5-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 130326392
6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
CID 130326339
2-(7-fluoranthen-3-ylbenzo[c]carbazol-10-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;5-fluoranthen-3-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;5-(3-fluoranthen-3-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-(3-fluoranthen-3-ylphenyl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 161437853
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866
5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole
CID 162167913
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
2-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;10-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159571919
2-[9-(2,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130326094
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159993956
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-fluoranthen-3-ylcarbazole;2-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-naphthalen-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-naphthalen-2-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 160596580
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329

Frequently Asked Questions

What is the IUPAC name of 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The IUPAC name of 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene (CID 161334745) is 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene.
What is the SMILES notation for 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The canonical SMILES for 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene is c1cc2c3c(ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3c1)-c1cnccc1-2.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4c(cccc24)-c2ccncc2-3)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7c(cccc57)-c5ccncc5-6)ccc43)c2)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccncc4-5)cc3c3cc4ccccc4cc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccncc4-5)ccc32)cc1.
What is the InChIKey of 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The InChIKey is VLWMGHKGBRJVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3.C49H29N3.C45H27N3.C39H23N3.C33H20N2/c1-2-10-32(11-3-1)33-12-8-13-36(28-33)53-46-18-6-4-14-38(46)43-29-34(20-23-49(43)53)35-21-24-50-44(30-35)39-15-5-7-19-47(39)54(50)48-25-22-41-45-31-52-27-26-37(45)40-16-9-17-42(48)51(40)41;1-2-11-34(12-3-1)51-46-20-17-33(27-41(46)42-25-30-9-4-5-10-31(30)28-48(42)51)32-18-21-47-40(26-32)36-13-6-7-16-44(36)52(47)45-22-19-38-43-29-50-24-23-35(43)37-14-8-15-39(45)49(37)38;1-2-9-30(10-3-1)47-40-15-6-4-11-32(40)37-25-28(17-20-43(37)47)29-18-21-44-38(26-29)33-12-5-7-16-41(33)48(44)42-22-19-35-39-27-46-24-23-31(39)34-13-8-14-36(42)45(34)35;1-4-13-34-26(8-1)27-9-2-5-14-35(27)41(34)24-16-18-38-32(22-24)28-10-3-6-15-36(28)42(38)37-19-17-30-33-23-40-21-20-25(33)29-11-7-12-31(37)39(29)30;1-2-7-21(8-3-1)22-13-15-32-28(19-22)24-9-4-5-12-30(24)35(32)31-16-14-26-29-20-34-18-17-23(29)25-10-6-11-27(31)33(25)26/h1-31H;1-29H;1-27H;1-23H;1-20H.
What are the key properties of 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene has a molecular weight of 2933.52 g/mol, XLogP of 56.77, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene is sourced from PubChem (CID 161334745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).