2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile

C139H81N13 — CID 157146532

IUPAC2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c5ccccc5ccc43)cc2)nc2ccccc12.N#Cc1cc(-n2c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3c3c4ccccc4ccc32)nc2ccccc12
InChIInChI=1S/C50H30N4.C48H28N4.C41H23N5/c51-31-36-30-45(52-44-16-8-6-13-39(36)44)33-18-23-38(24-19-33)54-48-26-22-35(29-43(48)50-40-14-5-4-10-32(40)20-27-49(50)54)34-21-25-47-42(28-34)41-15-7-9-17-46(41)53(47)37-11-2-1-3-12-37;49-29-34-28-46(50-41-17-9-8-14-36(34)41)52-43-23-21-33(27-40(43)48-38-16-7-5-11-31(38)19-25-45(48)52)32-20-22-42-39(26-32)47-37-15-6-4-10-30(37)18-24-44(47)51(42)35-12-2-1-3-13-35;42-24-34-30-13-5-7-15-33(30)43-41(44-34)46-36-22-19-27(23-32(36)40-29-12-4-2-10-26(29)18-21-38(40)46)45-35-16-8-6-14-31(35)39-28-11-3-1-9-25(28)17-20-37(39)45/h1-30H;1-28H;1-23H
InChIKeyAKTOXWTYHVSEJU-UHFFFAOYSA-N
MW1933.27 g/mol
LogP35.06
Rot. Bonds9

About 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile

2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile (PubChem CID 157146532) has the molecular formula C139H81N13 and a molecular weight of 1933.27 g/mol. Its IUPAC name is 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile
PubChem CID157146532
Molecular FormulaC139H81N13
Molecular Weight1933.27 g/mol
Exact Mass1931.67
IUPAC Name2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c5ccccc5ccc43)cc2)nc2ccccc12.N#Cc1cc(-n2c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3c3c4ccccc4ccc32)nc2ccccc12
InChIInChI=1S/C50H30N4.C48H28N4.C41H23N5/c51-31-36-30-45(52-44-16-8-6-13-39(36)44)33-18-23-38(24-19-33)54-48-26-22-35(29-43(48)50-40-14-5-4-10-32(40)20-27-49(50)54)34-21-25-47-42(28-34)41-15-7-9-17-46(41)53(47)37-11-2-1-3-12-37;49-29-34-28-46(50-41-17-9-8-14-36(34)41)52-43-23-21-33(27-40(43)48-38-16-7-5-11-31(38)19-25-45(48)52)32-20-22-42-39(26-32)47-37-15-6-4-10-30(37)18-24-44(47)51(42)35-12-2-1-3-13-35;42-24-34-30-13-5-7-15-33(30)43-41(44-34)46-36-22-19-27(23-32(36)40-29-12-4-2-10-26(29)18-21-38(40)46)45-35-16-8-6-14-31(35)39-28-11-3-1-9-25(28)17-20-37(39)45/h1-30H;1-28H;1-23H
InChIKeyAKTOXWTYHVSEJU-UHFFFAOYSA-N
XLogP35.06
TPSA152.51 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001933.27
LogP ≤ 535.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile?
The IUPAC name of 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile (CID 157146532) is 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile?
The canonical SMILES for 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile is N#Cc1cc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c5ccccc5ccc43)cc2)nc2ccccc12.N#Cc1cc(-n2c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3c3c4ccccc4ccc32)nc2ccccc12.
What is the InChIKey of 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile?
The InChIKey is AKTOXWTYHVSEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4.C48H28N4.C41H23N5/c51-31-36-30-45(52-44-16-8-6-13-39(36)44)33-18-23-38(24-19-33)54-48-26-22-35(29-43(48)50-40-14-5-4-10-32(40)20-27-49(50)54)34-21-25-47-42(28-34)41-15-7-9-17-46(41)53(47)37-11-2-1-3-12-37;49-29-34-28-46(50-41-17-9-8-14-36(34)41)52-43-23-21-33(27-40(43)48-38-16-7-5-11-31(38)19-25-45(48)52)32-20-22-42-39(26-32)47-37-15-6-4-10-30(37)18-24-44(47)51(42)35-12-2-1-3-13-35;42-24-34-30-13-5-7-15-33(30)43-41(44-34)46-36-22-19-27(23-32(36)40-29-12-4-2-10-26(29)18-21-38(40)46)45-35-16-8-6-14-31(35)39-28-11-3-1-9-25(28)17-20-37(39)45/h1-30H;1-28H;1-23H.
What are the key properties of 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile?
2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile has a molecular weight of 1933.27 g/mol, XLogP of 35.06, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile is sourced from PubChem (CID 157146532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).