3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione

C56H36N4O2 — CID 122491548

IUPAC3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3c2)c(=O)n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C56H36N4O2/c61-55-47-21-11-13-23-51(47)59(56(62)60(55)43-28-24-38(25-29-43)37-14-4-1-5-15-37)44-30-31-46-49-35-40(27-33-53(49)58(54(46)36-44)42-18-8-3-9-19-42)39-26-32-52-48(34-39)45-20-10-12-22-50(45)57(52)41-16-6-2-7-17-41/h1-36H
InChIKeyDSKZSXHAKDPUQJ-UHFFFAOYSA-N
MW796.93 g/mol
LogP12.67
Rot. Bonds6

About 3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione

3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione (PubChem CID 122491548) has the molecular formula C56H36N4O2 and a molecular weight of 796.93 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione
PubChem CID122491548
Molecular FormulaC56H36N4O2
Molecular Weight796.93 g/mol
Exact Mass796.28
IUPAC Name3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3c2)c(=O)n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C56H36N4O2/c61-55-47-21-11-13-23-51(47)59(56(62)60(55)43-28-24-38(25-29-43)37-14-4-1-5-15-37)44-30-31-46-49-35-40(27-33-53(49)58(54(46)36-44)42-18-8-3-9-19-42)39-26-32-52-48(34-39)45-20-10-12-22-50(45)57(52)41-16-6-2-7-17-41/h1-36H
InChIKeyDSKZSXHAKDPUQJ-UHFFFAOYSA-N
XLogP12.67
TPSA53.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.93
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
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
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione?
The IUPAC name of 3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione (CID 122491548) is 3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione?
The canonical SMILES for 3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione is O=c1c2ccccc2n(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3c2)c(=O)n1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione?
The InChIKey is DSKZSXHAKDPUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4O2/c61-55-47-21-11-13-23-51(47)59(56(62)60(55)43-28-24-38(25-29-43)37-14-4-1-5-15-37)44-30-31-46-49-35-40(27-33-53(49)58(54(46)36-44)42-18-8-3-9-19-42)39-26-32-52-48(34-39)45-20-10-12-22-50(45)57(52)41-16-6-2-7-17-41/h1-36H.
What are the key properties of 3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione?
3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione has a molecular weight of 796.93 g/mol, XLogP of 12.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione is sourced from PubChem (CID 122491548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).