7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole

C53H37N3 — CID 145257288

IUPAC7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)c4)c3cc21
InChIInChI=1S/C53H37N3/c1-53(2)46-22-12-9-19-41(46)44-32-45-42-20-11-14-24-49(42)56(50(45)33-47(44)53)40-30-38(35-17-7-4-8-18-35)29-39(31-40)52-54-48-23-13-10-21-43(48)51(55-52)37-27-25-36(26-28-37)34-15-5-3-6-16-34/h3-33H,1-2H3
InChIKeyCFQIOHHRICEQIW-UHFFFAOYSA-N
MW715.90 g/mol
LogP13.70
Rot. Bonds5

About 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole (PubChem CID 145257288) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole
PubChem CID145257288
Molecular FormulaC53H37N3
Molecular Weight715.90 g/mol
Exact Mass715.30
IUPAC Name7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)c4)c3cc21
InChIInChI=1S/C53H37N3/c1-53(2)46-22-12-9-19-41(46)44-32-45-42-20-11-14-24-49(42)56(50(45)33-47(44)53)40-30-38(35-17-7-4-8-18-35)29-39(31-40)52-54-48-23-13-10-21-43(48)51(55-52)37-27-25-36(26-28-37)34-15-5-3-6-16-34/h3-33H,1-2H3
InChIKeyCFQIOHHRICEQIW-UHFFFAOYSA-N
XLogP13.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole with MolForge

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Related Compounds

5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592234
5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10,10-dimethyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122679
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
9-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 67678526
4-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 140922153
7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163991530
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole (CID 145257288) is 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)c4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole?
The InChIKey is CFQIOHHRICEQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c1-53(2)46-22-12-9-19-41(46)44-32-45-42-20-11-14-24-49(42)56(50(45)33-47(44)53)40-30-38(35-17-7-4-8-18-35)29-39(31-40)52-54-48-23-13-10-21-43(48)51(55-52)37-27-25-36(26-28-37)34-15-5-3-6-16-34/h3-33H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole has a molecular weight of 715.90 g/mol, XLogP of 13.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole is sourced from PubChem (CID 145257288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).