8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole

C58H35N5 — CID 146375996

IUPAC8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6cc7ccc(-n8c9ccccc9c9c%10ccccc%10ccc98)cc7cc65)c5ccccc5n4)cc32)cc1
InChIInChI=1S/C58H35N5/c1-2-15-40(16-3-1)61-50-23-11-7-18-43(50)45-30-27-38(34-54(45)61)57-59-49-22-10-6-20-46(49)58(60-57)63-51-24-12-8-19-44(51)48-33-37-26-29-41(32-39(37)35-55(48)63)62-52-25-13-9-21-47(52)56-42-17-5-4-14-36(42)28-31-53(56)62/h1-35H
InChIKeyNTJOCWUFXQWXBD-UHFFFAOYSA-N
MW801.95 g/mol
LogP14.89
Rot. Bonds4

About 8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole

8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole (PubChem CID 146375996) has the molecular formula C58H35N5 and a molecular weight of 801.95 g/mol. Its IUPAC name is 8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
PubChem CID146375996
Molecular FormulaC58H35N5
Molecular Weight801.95 g/mol
Exact Mass801.29
IUPAC Name8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6cc7ccc(-n8c9ccccc9c9c%10ccccc%10ccc98)cc7cc65)c5ccccc5n4)cc32)cc1
InChIInChI=1S/C58H35N5/c1-2-15-40(16-3-1)61-50-23-11-7-18-43(50)45-30-27-38(34-54(45)61)57-59-49-22-10-6-20-46(49)58(60-57)63-51-24-12-8-19-44(51)48-33-37-26-29-41(32-39(37)35-55(48)63)62-52-25-13-9-21-47(52)56-42-17-5-4-14-36(42)28-31-53(56)62/h1-35H
InChIKeyNTJOCWUFXQWXBD-UHFFFAOYSA-N
XLogP14.89
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.95
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
5-[2-(9-naphthalen-2-ylcarbazol-3-yl)-7-phenylquinazolin-4-yl]-3-phenyl-9-[4-[3-[7-phenyl-4-(3-phenylbenzo[b]carbazol-5-yl)quinazolin-2-yl]carbazol-9-yl]phenyl]benzo[b]carbazole
CID 146539883
9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477284
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
CID 139361389
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146375007
2-benzo[a]carbazol-11-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
CID 157060055
9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375186
2-naphthalen-2-yl-5-[2-(7-phenylbenzo[c]carbazol-5-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146539916
11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146375682
8-benzo[a]carbazol-11-yl-5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole;8-benzo[a]carbazol-11-yl-5-(2-phenanthren-3-ylquinazolin-4-yl)benzo[b]carbazole;8-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 159439696

Frequently Asked Questions

What is the IUPAC name of 8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole?
The IUPAC name of 8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole (CID 146375996) is 8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole?
The canonical SMILES for 8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6cc7ccc(-n8c9ccccc9c9c%10ccccc%10ccc98)cc7cc65)c5ccccc5n4)cc32)cc1.
What is the InChIKey of 8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole?
The InChIKey is NTJOCWUFXQWXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5/c1-2-15-40(16-3-1)61-50-23-11-7-18-43(50)45-30-27-38(34-54(45)61)57-59-49-22-10-6-20-46(49)58(60-57)63-51-24-12-8-19-44(51)48-33-37-26-29-41(32-39(37)35-55(48)63)62-52-25-13-9-21-47(52)56-42-17-5-4-14-36(42)28-31-53(56)62/h1-35H.
What are the key properties of 8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole?
8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole has a molecular weight of 801.95 g/mol, XLogP of 14.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 146375996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).