3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole

C54H34N4 — CID 146540884

IUPAC3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(-n4c5cc(-c6ccccc6)ccc5c5cc6ccccc6cc54)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C54H34N4/c1-4-14-35(15-5-1)39-25-28-45-48(32-39)55-53(41-26-29-50-46(31-41)43-22-12-13-23-49(43)57(50)42-20-8-3-9-21-42)56-54(45)58-51-34-40(36-16-6-2-7-17-36)24-27-44(51)47-30-37-18-10-11-19-38(37)33-52(47)58/h1-34H
InChIKeyRJLLDZNCNGCMJF-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole

3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole (PubChem CID 146540884) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
PubChem CID146540884
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(-n4c5cc(-c6ccccc6)ccc5c5cc6ccccc6cc54)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C54H34N4/c1-4-14-35(15-5-1)39-25-28-45-48(32-39)55-53(41-26-29-50-46(31-41)43-22-12-13-23-49(43)57(50)42-20-8-3-9-21-42)56-54(45)58-51-34-40(36-16-6-2-7-17-36)24-27-44(51)47-30-37-18-10-11-19-38(37)33-52(47)58/h1-34H
InChIKeyRJLLDZNCNGCMJF-UHFFFAOYSA-N
XLogP13.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
CID 139361389
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-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
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
1-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-(4-phenylphenyl)benzo[f]quinazoline
CID 121401885
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
2-[3-[4-naphthalen-2-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 137401845
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole?
The IUPAC name of 3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole (CID 146540884) is 3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole?
The canonical SMILES for 3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole is c1ccc(-c2ccc3c(-n4c5cc(-c6ccccc6)ccc5c5cc6ccccc6cc54)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3c2)cc1.
What is the InChIKey of 3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole?
The InChIKey is RJLLDZNCNGCMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-4-14-35(15-5-1)39-25-28-45-48(32-39)55-53(41-26-29-50-46(31-41)43-22-12-13-23-49(43)57(50)42-20-8-3-9-21-42)56-54(45)58-51-34-40(36-16-6-2-7-17-36)24-27-44(51)47-30-37-18-10-11-19-38(37)33-52(47)58/h1-34H.
What are the key properties of 3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole?
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole has a molecular weight of 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 146540884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).