9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole

C44H30N4 — CID 163569923

IUPAC9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
SMILESC1=Cc2c(n(-c3nc(-c4ccccc4)c4ccccc4n3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)CC1
InChIInChI=1S/C44H30N4/c1-3-13-29(14-4-1)43-36-19-7-10-20-38(36)45-44(46-43)48-40-22-12-9-18-34(40)37-27-30(24-26-41(37)48)31-23-25-35-33-17-8-11-21-39(33)47(42(35)28-31)32-15-5-2-6-16-32/h1-11,13-21,23-28H,12,22H2
InChIKeyFYLSNOFYENONGI-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.96
Rot. Bonds4

About 9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole

9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole (PubChem CID 163569923) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
PubChem CID163569923
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
SMILESC1=Cc2c(n(-c3nc(-c4ccccc4)c4ccccc4n3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)CC1
InChIInChI=1S/C44H30N4/c1-3-13-29(14-4-1)43-36-19-7-10-20-38(36)45-44(46-43)48-40-22-12-9-18-34(40)37-27-30(24-26-41(37)48)31-23-25-35-33-17-8-11-21-39(33)47(42(35)28-31)32-15-5-2-6-16-32/h1-11,13-21,23-28H,12,22H2
InChIKeyFYLSNOFYENONGI-UHFFFAOYSA-N
XLogP10.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
10-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)-1,2-dihydrobenzo[c]carbazole
CID 165155024
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole (CID 163569923) is 9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole is C1=Cc2c(n(-c3nc(-c4ccccc4)c4ccccc4n3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)CC1.
What is the InChIKey of 9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole?
The InChIKey is FYLSNOFYENONGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-3-13-29(14-4-1)43-36-19-7-10-20-38(36)45-44(46-43)48-40-22-12-9-18-34(40)37-27-30(24-26-41(37)48)31-23-25-35-33-17-8-11-21-39(33)47(42(35)28-31)32-15-5-2-6-16-32/h1-11,13-21,23-28H,12,22H2.
What are the key properties of 9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole?
9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole has a molecular weight of 614.75 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 163569923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).