7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole

C174H110N12 — CID 159161950

IUPAC7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
SMILESc1ccc(-c2cc3nccnc3cc2-n2c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc3c3c4ccccc4ccc32)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c6c7ccccc7ccc65)ccc4n3)cc2)cc1.c1ccc(-c2nc3cccc(-c4cccc(-n5c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c6c7ccccc7ccc65)c4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C66H42N4.C60H38N4.C48H30N4/c1-4-16-43(17-5-1)45-30-32-47(33-31-45)66-67-59-38-36-52(42-58(59)64(68-66)50-22-14-21-48(40-50)44-18-6-2-7-19-44)69-61-39-35-46-20-10-11-25-53(46)63(61)57-37-34-49(41-62(57)69)54-27-15-28-56-55-26-12-13-29-60(55)70(65(54)56)51-23-8-3-9-24-51;1-4-18-40(19-5-1)57-58(41-20-6-2-7-21-41)62-59-47(28-16-31-52(59)61-57)42-22-14-25-45(37-42)63-54-36-34-39-17-10-11-26-46(39)56(54)51-35-33-43(38-55(51)63)48-29-15-30-50-49-27-12-13-32-53(49)64(60(48)50)44-23-8-3-9-24-44;1-3-12-31(13-4-1)40-29-41-42(50-27-26-49-41)30-46(40)52-44-25-23-32-14-7-8-17-35(32)47(44)39-24-22-33(28-45(39)52)36-19-11-20-38-37-18-9-10-21-43(37)51(48(36)38)34-15-5-2-6-16-34/h1-42H;1-38H;1-30H
InChIKeyKKPCYEARLJVAQV-UHFFFAOYSA-N
MW2368.88 g/mol
LogP45.27
Rot. Bonds17

About 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole

7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole (PubChem CID 159161950) has the molecular formula C174H110N12 and a molecular weight of 2368.88 g/mol. Its IUPAC name is 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
PubChem CID159161950
Molecular FormulaC174H110N12
Molecular Weight2368.88 g/mol
Exact Mass2366.90
IUPAC Name7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
SMILESc1ccc(-c2cc3nccnc3cc2-n2c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc3c3c4ccccc4ccc32)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c6c7ccccc7ccc65)ccc4n3)cc2)cc1.c1ccc(-c2nc3cccc(-c4cccc(-n5c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c6c7ccccc7ccc65)c4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C66H42N4.C60H38N4.C48H30N4/c1-4-16-43(17-5-1)45-30-32-47(33-31-45)66-67-59-38-36-52(42-58(59)64(68-66)50-22-14-21-48(40-50)44-18-6-2-7-19-44)69-61-39-35-46-20-10-11-25-53(46)63(61)57-37-34-49(41-62(57)69)54-27-15-28-56-55-26-12-13-29-60(55)70(65(54)56)51-23-8-3-9-24-51;1-4-18-40(19-5-1)57-58(41-20-6-2-7-21-41)62-59-47(28-16-31-52(59)61-57)42-22-14-25-45(37-42)63-54-36-34-39-17-10-11-26-46(39)56(54)51-35-33-43(38-55(51)63)48-29-15-30-50-49-27-12-13-32-53(49)64(60(48)50)44-23-8-3-9-24-44;1-3-12-31(13-4-1)40-29-41-42(50-27-26-49-41)30-46(40)52-44-25-23-32-14-7-8-17-35(32)47(44)39-24-22-33(28-45(39)52)36-19-11-20-38-37-18-9-10-21-43(37)51(48(36)38)34-15-5-2-6-16-34/h1-42H;1-38H;1-30H
InChIKeyKKPCYEARLJVAQV-UHFFFAOYSA-N
XLogP45.27
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002368.88
LogP ≤ 545.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole with MolForge

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Related Compounds

14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159613181
9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole
CID 154952578
14-(2,3-diphenylquinoxalin-6-yl)-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;12-phenyl-16-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-(7-phenylquinoxalin-6-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;14-phenyl-18-quinoxalin-6-yl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene
CID 160794610
9-(2,3-diphenylquinoxalin-5-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-phenyl-9-(7-phenylquinoxalin-6-yl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 161101492
9-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 157137649
9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
CID 154952576
7-(2,3-diphenylquinoxalin-5-yl)-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole
CID 154952593
9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 160994373
9-dibenzothiophen-4-yl-7-(2,3-diphenylquinoxalin-5-yl)benzo[c]carbazole;9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole;9-dibenzothiophen-4-yl-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
CID 159259344
12-(2,3-diphenylquinoxalin-5-yl)-11-phenylindolo[2,3-a]carbazole;12-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(7-phenylquinoxalin-6-yl)indolo[2,3-a]carbazole
CID 159573481
11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
CID 145158985
12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159731421

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole?
The IUPAC name of 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole (CID 159161950) is 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole.
What is the SMILES notation for 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole?
The canonical SMILES for 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole is c1ccc(-c2cc3nccnc3cc2-n2c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc3c3c4ccccc4ccc32)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c6c7ccccc7ccc65)ccc4n3)cc2)cc1.c1ccc(-c2nc3cccc(-c4cccc(-n5c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c6c7ccccc7ccc65)c4)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole?
The InChIKey is KKPCYEARLJVAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4.C60H38N4.C48H30N4/c1-4-16-43(17-5-1)45-30-32-47(33-31-45)66-67-59-38-36-52(42-58(59)64(68-66)50-22-14-21-48(40-50)44-18-6-2-7-19-44)69-61-39-35-46-20-10-11-25-53(46)63(61)57-37-34-49(41-62(57)69)54-27-15-28-56-55-26-12-13-29-60(55)70(65(54)56)51-23-8-3-9-24-51;1-4-18-40(19-5-1)57-58(41-20-6-2-7-21-41)62-59-47(28-16-31-52(59)61-57)42-22-14-25-45(37-42)63-54-36-34-39-17-10-11-26-46(39)56(54)51-35-33-43(38-55(51)63)48-29-15-30-50-49-27-12-13-32-53(49)64(60(48)50)44-23-8-3-9-24-44;1-3-12-31(13-4-1)40-29-41-42(50-27-26-49-41)30-46(40)52-44-25-23-32-14-7-8-17-35(32)47(44)39-24-22-33(28-45(39)52)36-19-11-20-38-37-18-9-10-21-43(37)51(48(36)38)34-15-5-2-6-16-34/h1-42H;1-38H;1-30H.
What are the key properties of 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole?
7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole has a molecular weight of 2368.88 g/mol, XLogP of 45.27, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole is sourced from PubChem (CID 159161950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).