2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole

C50H32N4 — CID 145158976

IUPAC2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc3n2)cc1
InChIInChI=1S/C50H32N4/c1-3-13-34(14-4-1)50-51-44-30-26-35(36-25-29-42-41-19-9-12-22-47(41)54(48(42)32-36)37-15-5-2-6-16-37)31-43(44)49(52-50)33-23-27-38(28-24-33)53-45-20-10-7-17-39(45)40-18-8-11-21-46(40)53/h1-32H
InChIKeyCTLOTRSKPKQVOJ-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole

2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole (PubChem CID 145158976) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
PubChem CID145158976
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc3n2)cc1
InChIInChI=1S/C50H32N4/c1-3-13-34(14-4-1)50-51-44-30-26-35(36-25-29-42-41-19-9-12-22-47(41)54(48(42)32-36)37-15-5-2-6-16-37)31-43(44)49(52-50)33-23-27-38(28-24-33)53-45-20-10-7-17-39(45)40-18-8-11-21-46(40)53/h1-32H
InChIKeyCTLOTRSKPKQVOJ-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630568
9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 160941783
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
2-dibenzofuran-3-yl-9-[4-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 126631899
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
9-phenyl-2-[4-phenyl-2-(4-pyren-1-ylphenyl)quinazolin-6-yl]carbazole
CID 145158981
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole
CID 139327758

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
The IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole (CID 145158976) is 2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc3n2)cc1.
What is the InChIKey of 2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
The InChIKey is CTLOTRSKPKQVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-3-13-34(14-4-1)50-51-44-30-26-35(36-25-29-42-41-19-9-12-22-47(41)54(48(42)32-36)37-15-5-2-6-16-37)31-43(44)49(52-50)33-23-27-38(28-24-33)53-45-20-10-7-17-39(45)40-18-8-11-21-46(40)53/h1-32H.
What are the key properties of 2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole is sourced from PubChem (CID 145158976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).