6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione

C53H37N3O2 — CID 122491504

IUPAC6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc7c(c6)c(=O)n(-c6ccccc6)c(=O)n7-c6ccccc6)cc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C53H37N3O2/c1-53(2)46-21-13-12-20-41(46)42-32-44-43-30-36(26-28-48(43)54(50(44)33-47(42)53)38-14-6-3-7-15-38)34-22-24-35(25-23-34)37-27-29-49-45(31-37)51(57)56(40-18-10-5-11-19-40)52(58)55(49)39-16-8-4-9-17-39/h3-33H,1-2H3
InChIKeyZANFCTNKNFVGMW-UHFFFAOYSA-N
MW747.90 g/mol
LogP11.88
Rot. Bonds5

About 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione

6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione (PubChem CID 122491504) has the molecular formula C53H37N3O2 and a molecular weight of 747.90 g/mol. Its IUPAC name is 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione
PubChem CID122491504
Molecular FormulaC53H37N3O2
Molecular Weight747.90 g/mol
Exact Mass747.29
IUPAC Name6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc7c(c6)c(=O)n(-c6ccccc6)c(=O)n7-c6ccccc6)cc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C53H37N3O2/c1-53(2)46-21-13-12-20-41(46)42-32-44-43-30-36(26-28-48(43)54(50(44)33-47(42)53)38-14-6-3-7-15-38)34-22-24-35(25-23-34)37-27-29-49-45(31-37)51(57)56(40-18-10-5-11-19-40)52(58)55(49)39-16-8-4-9-17-39/h3-33H,1-2H3
InChIKeyZANFCTNKNFVGMW-UHFFFAOYSA-N
XLogP11.88
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.90
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione with MolForge

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Related Compounds

6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione
CID 122491611
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405
6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione
CID 156568596
2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
[2-[3,5-bis(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]phenyl]-methyl-oxoazanium
CID 123248998

Frequently Asked Questions

What is the IUPAC name of 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione?
The IUPAC name of 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione (CID 122491504) is 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione.
What is the SMILES notation for 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione?
The canonical SMILES for 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc7c(c6)c(=O)n(-c6ccccc6)c(=O)n7-c6ccccc6)cc5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione?
The InChIKey is ZANFCTNKNFVGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3O2/c1-53(2)46-21-13-12-20-41(46)42-32-44-43-30-36(26-28-48(43)54(50(44)33-47(42)53)38-14-6-3-7-15-38)34-22-24-35(25-23-34)37-27-29-49-45(31-37)51(57)56(40-18-10-5-11-19-40)52(58)55(49)39-16-8-4-9-17-39/h3-33H,1-2H3.
What are the key properties of 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione?
6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione has a molecular weight of 747.90 g/mol, XLogP of 11.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione is sourced from PubChem (CID 122491504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).