5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole

C147H91N11 — CID 158064906

IUPAC5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5cc6ccccc6cc54)c4cccnc4n3)c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc3ccccc23)cc1.c1ccc(-n2c3cc(-c4nc(-n5c6cc7ccccc7cc6c6c(-c7ccc8c(ccc9ccccc98)c7)cccc65)c5ccccc5n4)ccc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C60H36N4.C46H29N3.C41H26N4/c1-2-17-44(18-3-1)63-54-32-29-38-14-7-9-20-47(38)57(54)50-31-28-43(36-55(50)63)59-61-52-23-11-10-21-49(52)60(62-59)64-53-24-12-22-48(58(53)51-34-39-15-4-5-16-40(39)35-56(51)64)42-27-30-46-41(33-42)26-25-37-13-6-8-19-45(37)46;1-2-12-31(13-3-1)38-21-11-23-42-44(38)40-28-34-15-4-5-16-35(34)29-43(40)49(42)46-39-19-8-9-22-41(39)47-45(48-46)33-26-24-32(25-27-33)37-20-10-17-30-14-6-7-18-36(30)37;1-3-10-27(11-4-1)29-17-19-30(20-18-29)39-43-40-34(16-9-23-42-40)41(44-39)45-37-22-21-33(28-12-5-2-6-13-28)25-35(37)36-24-31-14-7-8-15-32(31)26-38(36)45/h1-36H;1-29H;1-26H/i;;1D,3D,4D,10D,11D,17D,18D,19D,20D
InChIKeyFLCITBQBKYYVKB-CTHLTVCTSA-N
MW2020.48 g/mol
LogP38.08
Rot. Bonds12

About 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole

5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole (PubChem CID 158064906) has the molecular formula C147H91N11 and a molecular weight of 2020.48 g/mol. Its IUPAC name is 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole
PubChem CID158064906
Molecular FormulaC147H91N11
Molecular Weight2020.48 g/mol
Exact Mass2018.80
IUPAC Name5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5cc6ccccc6cc54)c4cccnc4n3)c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc3ccccc23)cc1.c1ccc(-n2c3cc(-c4nc(-n5c6cc7ccccc7cc6c6c(-c7ccc8c(ccc9ccccc98)c7)cccc65)c5ccccc5n4)ccc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C60H36N4.C46H29N3.C41H26N4/c1-2-17-44(18-3-1)63-54-32-29-38-14-7-9-20-47(38)57(54)50-31-28-43(36-55(50)63)59-61-52-23-11-10-21-49(52)60(62-59)64-53-24-12-22-48(58(53)51-34-39-15-4-5-16-40(39)35-56(51)64)42-27-30-46-41(33-42)26-25-37-13-6-8-19-45(37)46;1-2-12-31(13-3-1)38-21-11-23-42-44(38)40-28-34-15-4-5-16-35(34)29-43(40)49(42)46-39-19-8-9-22-41(39)47-45(48-46)33-26-24-32(25-27-33)37-20-10-17-30-14-6-7-18-36(30)37;1-3-10-27(11-4-1)29-17-19-30(20-18-29)39-43-40-34(16-9-23-42-40)41(44-39)45-37-22-21-33(28-12-5-2-6-13-28)25-35(37)36-24-31-14-7-8-15-32(31)26-38(36)45/h1-36H;1-29H;1-26H/i;;1D,3D,4D,10D,11D,17D,18D,19D,20D
InChIKeyFLCITBQBKYYVKB-CTHLTVCTSA-N
XLogP38.08
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002020.48
LogP ≤ 538.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole
CID 158424109
5-(2,7-dinaphthalen-2-ylquinazolin-4-yl)-2-naphthalen-1-ylbenzo[b]carbazole;5-(2-naphthalen-2-yl-6,7-diphenylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;1-naphthalen-1-yl-5-[2-phenyl-6-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 157308018
5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole
CID 158468134
8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146375996
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351461
9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
CID 167031844
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole
CID 158650135
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]carbazole;3-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 160712276
3-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-[3-[8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283369
2-naphthalen-2-yl-5-[2-(7-phenylbenzo[c]carbazol-5-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146539916

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole (CID 158064906) is 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5cc6ccccc6cc54)c4cccnc4n3)c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc3ccccc23)cc1.c1ccc(-n2c3cc(-c4nc(-n5c6cc7ccccc7cc6c6c(-c7ccc8c(ccc9ccccc98)c7)cccc65)c5ccccc5n4)ccc3c3c4ccccc4ccc32)cc1.
What is the InChIKey of 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole?
The InChIKey is FLCITBQBKYYVKB-CTHLTVCTSA-N. The full InChI is InChI=1S/C60H36N4.C46H29N3.C41H26N4/c1-2-17-44(18-3-1)63-54-32-29-38-14-7-9-20-47(38)57(54)50-31-28-43(36-55(50)63)59-61-52-23-11-10-21-49(52)60(62-59)64-53-24-12-22-48(58(53)51-34-39-15-4-5-16-40(39)35-56(51)64)42-27-30-46-41(33-42)26-25-37-13-6-8-19-45(37)46;1-2-12-31(13-3-1)38-21-11-23-42-44(38)40-28-34-15-4-5-16-35(34)29-43(40)49(42)46-39-19-8-9-22-41(39)47-45(48-46)33-26-24-32(25-27-33)37-20-10-17-30-14-6-7-18-36(30)37;1-3-10-27(11-4-1)29-17-19-30(20-18-29)39-43-40-34(16-9-23-42-40)41(44-39)45-37-22-21-33(28-12-5-2-6-13-28)25-35(37)36-24-31-14-7-8-15-32(31)26-38(36)45/h1-36H;1-29H;1-26H/i;;1D,3D,4D,10D,11D,17D,18D,19D,20D.
What are the key properties of 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole?
5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole has a molecular weight of 2020.48 g/mol, XLogP of 38.08, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 158064906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).