2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole

C54H37N3 — CID 145158959

IUPAC2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)c(-c3ccc4nc(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)nc(-c5ccccc5)c4c3)cc1n2-c1ccccc1
InChIInChI=1S/C54H37N3/c1-34-21-28-50-46(29-34)47-30-35(2)45(33-51(47)57(50)42-17-7-4-8-18-42)41-26-27-49-48(32-41)53(37-13-5-3-6-14-37)56-54(55-49)38-24-22-36(23-25-38)52-43-19-11-9-15-39(43)31-40-16-10-12-20-44(40)52/h3-33H,1-2H3
InChIKeyDRCIUDOWOHZFHT-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.32
Rot. Bonds5

About 2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole

2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole (PubChem CID 145158959) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole.

Molecular Properties

Compound Name2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole
PubChem CID145158959
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)c(-c3ccc4nc(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)nc(-c5ccccc5)c4c3)cc1n2-c1ccccc1
InChIInChI=1S/C54H37N3/c1-34-21-28-50-46(29-34)47-30-35(2)45(33-51(47)57(50)42-17-7-4-8-18-42)41-26-27-49-48(32-41)53(37-13-5-3-6-14-37)56-54(55-49)38-24-22-36(23-25-38)52-43-19-11-9-15-39(43)31-40-16-10-12-20-44(40)52/h3-33H,1-2H3
InChIKeyDRCIUDOWOHZFHT-UHFFFAOYSA-N
XLogP14.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 118345196
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
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965
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
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
CID 146539853
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-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118204076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole?
The IUPAC name of 2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole (CID 145158959) is 2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole.
What is the SMILES notation for 2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole?
The canonical SMILES for 2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole is Cc1ccc2c(c1)c1cc(C)c(-c3ccc4nc(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)nc(-c5ccccc5)c4c3)cc1n2-c1ccccc1.
What is the InChIKey of 2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole?
The InChIKey is DRCIUDOWOHZFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-34-21-28-50-46(29-34)47-30-35(2)45(33-51(47)57(50)42-17-7-4-8-18-42)41-26-27-49-48(32-41)53(37-13-5-3-6-14-37)56-54(55-49)38-24-22-36(23-25-38)52-43-19-11-9-15-39(43)31-40-16-10-12-20-44(40)52/h3-33H,1-2H3.
What are the key properties of 2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole?
2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole has a molecular weight of 727.91 g/mol, XLogP of 14.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-anthracen-9-ylphenyl)-4-phenylquinazolin-6-yl]-3,6-dimethyl-9-phenylcarbazole is sourced from PubChem (CID 145158959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).