2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole

C34H20ClN3 — CID 146375790

IUPAC2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
SMILESClc1ccc2c(c1)c1cc3ccccc3cc1n2-c1nc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C34H20ClN3/c35-26-15-16-31-29(20-26)28-18-23-9-3-4-10-24(23)19-32(28)38(31)34-27-11-5-6-12-30(27)36-33(37-34)25-14-13-21-7-1-2-8-22(21)17-25/h1-20H
InChIKeyGNOKGYJACPSKER-UHFFFAOYSA-N
MW506.01 g/mol
LogP9.35
Rot. Bonds2

About 2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole

2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole (PubChem CID 146375790) has the molecular formula C34H20ClN3 and a molecular weight of 506.01 g/mol. Its IUPAC name is 2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole.

Molecular Properties

Compound Name2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
PubChem CID146375790
Molecular FormulaC34H20ClN3
Molecular Weight506.01 g/mol
Exact Mass505.13
IUPAC Name2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
SMILESClc1ccc2c(c1)c1cc3ccccc3cc1n2-c1nc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C34H20ClN3/c35-26-15-16-31-29(20-26)28-18-23-9-3-4-10-24(23)19-32(28)38(31)34-27-11-5-6-12-30(27)36-33(37-34)25-14-13-21-7-1-2-8-22(21)17-25/h1-20H
InChIKeyGNOKGYJACPSKER-UHFFFAOYSA-N
XLogP9.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.01
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
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
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
5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole
CID 139361804
2-naphthalen-2-yl-5-[2-(7-phenylbenzo[c]carbazol-5-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146539916
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146375996
5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
CID 139361389
5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361545
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806
2-indol-1-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
CID 146375728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole?
The IUPAC name of 2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole (CID 146375790) is 2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole.
What is the SMILES notation for 2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole?
The canonical SMILES for 2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole is Clc1ccc2c(c1)c1cc3ccccc3cc1n2-c1nc(-c2ccc3ccccc3c2)nc2ccccc12.
What is the InChIKey of 2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole?
The InChIKey is GNOKGYJACPSKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20ClN3/c35-26-15-16-31-29(20-26)28-18-23-9-3-4-10-24(23)19-32(28)38(31)34-27-11-5-6-12-30(27)36-33(37-34)25-14-13-21-7-1-2-8-22(21)17-25/h1-20H.
What are the key properties of 2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole?
2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole has a molecular weight of 506.01 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole is sourced from PubChem (CID 146375790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).