4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline

C54H36N4 — CID 144780512

IUPAC4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline
SMILESc1ccc(-c2cccc(C3N=C(n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)c4ccc5ccccc5c4N3)c2)cc1
InChIInChI=1S/C54H36N4/c1-3-15-35(16-4-1)37-18-13-19-39(33-37)53-55-52-42-22-8-7-17-36(42)29-31-45(52)54(56-53)58-47-26-11-9-23-43(47)46-34-38(30-32-49(46)58)41-25-14-28-50-51(41)44-24-10-12-27-48(44)57(50)40-20-5-2-6-21-40/h1-34,53,55H
InChIKeyCPIFAFKMMCIJQE-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.80
Rot. Bonds4

About 4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline

4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline (PubChem CID 144780512) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline.

Molecular Properties

Compound Name4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline
PubChem CID144780512
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline
SMILESc1ccc(-c2cccc(C3N=C(n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)c4ccc5ccccc5c4N3)c2)cc1
InChIInChI=1S/C54H36N4/c1-3-15-35(16-4-1)37-18-13-19-39(33-37)53-55-52-42-22-8-7-17-36(42)29-31-45(52)54(56-53)58-47-26-11-9-23-43(47)46-34-38(30-32-49(46)58)41-25-14-28-50-51(41)44-24-10-12-27-48(44)57(50)40-20-5-2-6-21-40/h1-34,53,55H
InChIKeyCPIFAFKMMCIJQE-UHFFFAOYSA-N
XLogP13.80
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,2-dihydrobenzo[h]quinazoline
CID 144780462
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole
CID 134369799
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
CID 154618864
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402041

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline?
The IUPAC name of 4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline (CID 144780512) is 4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline.
What is the SMILES notation for 4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline?
The canonical SMILES for 4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline is c1ccc(-c2cccc(C3N=C(n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)c4ccc5ccccc5c4N3)c2)cc1.
What is the InChIKey of 4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline?
The InChIKey is CPIFAFKMMCIJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-3-15-35(16-4-1)37-18-13-19-39(33-37)53-55-52-42-22-8-7-17-36(42)29-31-45(52)54(56-53)58-47-26-11-9-23-43(47)46-34-38(30-32-49(46)58)41-25-14-28-50-51(41)44-24-10-12-27-48(44)57(50)40-20-5-2-6-21-40/h1-34,53,55H.
What are the key properties of 4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline?
4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline has a molecular weight of 740.91 g/mol, XLogP of 13.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline is sourced from PubChem (CID 144780512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).