7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole

C41H31N3 — CID 126627646

IUPAC7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(C3=NC4C=CC=CC4C(c4ccc(-c5ccccc5)cc4)=N3)c21
InChIInChI=1S/C41H31N3/c1-41(2)33-17-9-6-15-31(33)37-34(41)25-24-30-29-14-8-11-19-36(29)44(39(30)37)40-42-35-18-10-7-16-32(35)38(43-40)28-22-20-27(21-23-28)26-12-4-3-5-13-26/h3-25,32,35H,1-2H3
InChIKeyJWXOSRKGJJYVCR-UHFFFAOYSA-N
MW565.72 g/mol
LogP9.59
Rot. Bonds2

About 7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole

7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole (PubChem CID 126627646) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole
PubChem CID126627646
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(C3=NC4C=CC=CC4C(c4ccc(-c5ccccc5)cc4)=N3)c21
InChIInChI=1S/C41H31N3/c1-41(2)33-17-9-6-15-31(33)37-34(41)25-24-30-29-14-8-11-19-36(29)44(39(30)37)40-42-35-18-10-7-16-32(35)38(43-40)28-22-20-27(21-23-28)26-12-4-3-5-13-26/h3-25,32,35H,1-2H3
InChIKeyJWXOSRKGJJYVCR-UHFFFAOYSA-N
XLogP9.59
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
7,7-dimethyl-12-[3-[5-(4-phenylphenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]phenyl]indeno[1,2-a]carbazole
CID 129238358
7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole
CID 144543478
12-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 149347203
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole
CID 67149753
12-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 121343632
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630713

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole?
The IUPAC name of 7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole (CID 126627646) is 7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole.
What is the SMILES notation for 7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole?
The canonical SMILES for 7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(C3=NC4C=CC=CC4C(c4ccc(-c5ccccc5)cc4)=N3)c21.
What is the InChIKey of 7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole?
The InChIKey is JWXOSRKGJJYVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c1-41(2)33-17-9-6-15-31(33)37-34(41)25-24-30-29-14-8-11-19-36(29)44(39(30)37)40-42-35-18-10-7-16-32(35)38(43-40)28-22-20-27(21-23-28)26-12-4-3-5-13-26/h3-25,32,35H,1-2H3.
What are the key properties of 7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole?
7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole has a molecular weight of 565.72 g/mol, XLogP of 9.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole is sourced from PubChem (CID 126627646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).