7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole

C41H31N3 — CID 67149753

IUPAC7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4c(n3)=CCCC=4)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/h3-6,8-9,11-25H,7,10H2,1-2H3
InChIKeyLWKPFIQAYRJULN-UHFFFAOYSA-N
MW565.72 g/mol
LogP8.57
Rot. Bonds3

About 7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole

7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole (PubChem CID 67149753) 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)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole
PubChem CID67149753
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4c(n3)=CCCC=4)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/h3-6,8-9,11-25H,7,10H2,1-2H3
InChIKeyLWKPFIQAYRJULN-UHFFFAOYSA-N
XLogP8.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 58.57
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
7,7-dimethyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[1,2-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-3-phenylindeno[1,2-a]carbazole
CID 165042893
12-(4-dibenzothiophen-2-ylquinazolin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole
CID 71291239
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510050
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
19-(4,6-diphenylquinazolin-2-yl)-5,5-dimethyl-19-azaheptacyclo[15.11.0.02,14.04,12.06,11.018,26.020,25]octacosa-1(17),2,4(12),6,8,10,13,15,18(26),20,22,24,27-tridecaene
CID 134337941
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]
CID 118613577
9,9-dimethyl-15-(3-phenylquinoxalin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193081

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole?
The IUPAC name of 7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole (CID 67149753) is 7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole.
What is the SMILES notation for 7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole?
The canonical SMILES for 7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4c(n3)=CCCC=4)c21.
What is the InChIKey of 7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole?
The InChIKey is LWKPFIQAYRJULN-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/h3-6,8-9,11-25H,7,10H2,1-2H3.
What are the key properties of 7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole?
7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole has a molecular weight of 565.72 g/mol, XLogP of 8.57, 3 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)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole is sourced from PubChem (CID 67149753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).