2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one

C50H32N4O — CID 121247295

IUPAC2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1
InChIInChI=1S/C50H32N4O/c55-50-41-22-7-10-23-44(41)51-49(33-14-3-1-4-15-33)54(50)38-19-13-18-37(32-38)53-46-25-12-9-21-40(46)43-31-35(27-29-48(43)53)34-26-28-47-42(30-34)39-20-8-11-24-45(39)52(47)36-16-5-2-6-17-36/h1-32H
InChIKeyVLLULZCMUHPMKF-UHFFFAOYSA-N
MW704.83 g/mol
LogP11.91
Rot. Bonds5

About 2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one

2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one (PubChem CID 121247295) has the molecular formula C50H32N4O and a molecular weight of 704.83 g/mol. Its IUPAC name is 2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
PubChem CID121247295
Molecular FormulaC50H32N4O
Molecular Weight704.83 g/mol
Exact Mass704.26
IUPAC Name2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1
InChIInChI=1S/C50H32N4O/c55-50-41-22-7-10-23-44(41)51-49(33-14-3-1-4-15-33)54(50)38-19-13-18-37(32-38)53-46-25-12-9-21-40(46)43-31-35(27-29-48(43)53)34-26-28-47-42(30-34)39-20-8-11-24-45(39)52(47)36-16-5-2-6-17-36/h1-32H
InChIKeyVLLULZCMUHPMKF-UHFFFAOYSA-N
XLogP11.91
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863036
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one?
The IUPAC name of 2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one (CID 121247295) is 2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one.
What is the SMILES notation for 2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one?
The canonical SMILES for 2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1.
What is the InChIKey of 2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one?
The InChIKey is VLLULZCMUHPMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O/c55-50-41-22-7-10-23-44(41)51-49(33-14-3-1-4-15-33)54(50)38-19-13-18-37(32-38)53-46-25-12-9-21-40(46)43-31-35(27-29-48(43)53)34-26-28-47-42(30-34)39-20-8-11-24-45(39)52(47)36-16-5-2-6-17-36/h1-32H.
What are the key properties of 2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one?
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one has a molecular weight of 704.83 g/mol, XLogP of 11.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one is sourced from PubChem (CID 121247295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).