7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole

C53H38N4 — CID 144543478

IUPAC7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccccc4)ccc3n(-c3nc(-c4ccc5c(c4)C4C=CC=CC4N5c4ccccc4)c4ccccc4n3)c21
InChIInChI=1S/C53H38N4/c1-53(2)43-22-12-9-20-39(43)49-44(53)28-27-38-42-31-34(33-15-5-3-6-16-33)25-29-48(42)57(51(38)49)52-54-45-23-13-10-21-40(45)50(55-52)35-26-30-47-41(32-35)37-19-11-14-24-46(37)56(47)36-17-7-4-8-18-36/h3-32,37,46H,1-2H3
InChIKeyVSOUZVGNRNUNOF-UHFFFAOYSA-N
MW730.92 g/mol
LogP13.10
Rot. Bonds4

About 7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole

7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole (PubChem CID 144543478) has the molecular formula C53H38N4 and a molecular weight of 730.92 g/mol. Its IUPAC name is 7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole
PubChem CID144543478
Molecular FormulaC53H38N4
Molecular Weight730.92 g/mol
Exact Mass730.31
IUPAC Name7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccccc4)ccc3n(-c3nc(-c4ccc5c(c4)C4C=CC=CC4N5c4ccccc4)c4ccccc4n3)c21
InChIInChI=1S/C53H38N4/c1-53(2)43-22-12-9-20-39(43)49-44(53)28-27-38-42-31-34(33-15-5-3-6-16-33)25-29-48(42)57(51(38)49)52-54-45-23-13-10-21-40(45)50(55-52)35-26-30-47-41(32-35)37-19-11-14-24-46(37)56(47)36-17-7-4-8-18-36/h3-32,37,46H,1-2H3
InChIKeyVSOUZVGNRNUNOF-UHFFFAOYSA-N
XLogP13.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
12-(4-dibenzothiophen-2-ylquinazolin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole
CID 71291239
7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole
CID 163790294
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568512
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 166750436
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
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
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
12,12-dimethyl-8-(9-phenylcarbazol-3-yl)-11-[4-(4-phenylquinazolin-2-yl)phenyl]-6a,11a-dihydroindeno[2,1-a]carbazole
CID 67700976

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole?
The IUPAC name of 7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole (CID 144543478) is 7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole.
What is the SMILES notation for 7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole?
The canonical SMILES for 7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccccc4)ccc3n(-c3nc(-c4ccc5c(c4)C4C=CC=CC4N5c4ccccc4)c4ccccc4n3)c21.
What is the InChIKey of 7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole?
The InChIKey is VSOUZVGNRNUNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4/c1-53(2)43-22-12-9-20-39(43)49-44(53)28-27-38-42-31-34(33-15-5-3-6-16-33)25-29-48(42)57(51(38)49)52-54-45-23-13-10-21-40(45)50(55-52)35-26-30-47-41(32-35)37-19-11-14-24-46(37)56(47)36-17-7-4-8-18-36/h3-32,37,46H,1-2H3.
What are the key properties of 7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole?
7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole has a molecular weight of 730.92 g/mol, XLogP of 13.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole is sourced from PubChem (CID 144543478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).