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

C50H30N4 — CID 146375305

IUPAC2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-n4c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c5cc6ccccc6cc54)c4ccccc4n3)ccc2c1
InChIInChI=1S/C50H30N4/c1-2-12-32-25-37(22-21-31(32)11-1)49-51-44-19-9-7-18-40(44)50(52-49)54-46-24-23-38(30-43(46)42-27-34-14-4-6-16-36(34)29-48(42)54)53-45-20-10-8-17-39(45)41-26-33-13-3-5-15-35(33)28-47(41)53/h1-30H
InChIKeyOVWZVMNANFQESH-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.95
Rot. Bonds3

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

2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole (PubChem CID 146375305) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole.

Molecular Properties

Compound Name2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
PubChem CID146375305
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-n4c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c5cc6ccccc6cc54)c4ccccc4n3)ccc2c1
InChIInChI=1S/C50H30N4/c1-2-12-32-25-37(22-21-31(32)11-1)49-51-44-19-9-7-18-40(44)50(52-49)54-46-24-23-38(30-43(46)42-27-34-14-4-6-16-36(34)29-48(42)54)53-45-20-10-8-17-39(45)41-26-33-13-3-5-15-35(33)28-47(41)53/h1-30H
InChIKeyOVWZVMNANFQESH-UHFFFAOYSA-N
XLogP12.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375790
8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146375996
4-(3-carbazol-9-ylcarbazol-9-yl)-2-naphthalen-2-ylbenzo[h]quinazoline
CID 121404382
5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
CID 139361389
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
2-naphthalen-2-yl-5-[2-(7-phenylbenzo[c]carbazol-5-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146539916
2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026

Frequently Asked Questions

What is the IUPAC name of 2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole?
The IUPAC name of 2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole (CID 146375305) is 2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole.
What is the SMILES notation for 2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole?
The canonical SMILES for 2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole is c1ccc2cc(-c3nc(-n4c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c5cc6ccccc6cc54)c4ccccc4n3)ccc2c1.
What is the InChIKey of 2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole?
The InChIKey is OVWZVMNANFQESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-12-32-25-37(22-21-31(32)11-1)49-51-44-19-9-7-18-40(44)50(52-49)54-46-24-23-38(30-43(46)42-27-34-14-4-6-16-36(34)29-48(42)54)53-45-20-10-8-17-39(45)41-26-33-13-3-5-15-35(33)28-47(41)53/h1-30H.
What are the key properties of 2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole?
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole has a molecular weight of 686.82 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole is sourced from PubChem (CID 146375305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).