7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole

C48H32N2O — CID 146334221

IUPAC7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cccc(-c6cc(-c7ccccc7)nc7ccccc67)c45)c3cc21
InChIInChI=1S/C48H32N2O/c1-48(2)38-21-9-6-16-30(38)36-26-37-32-18-8-11-23-42(32)50(44(37)28-39(36)48)43-24-12-20-34-46-33(19-13-25-45(46)51-47(34)43)35-27-41(29-14-4-3-5-15-29)49-40-22-10-7-17-31(35)40/h3-28H,1-2H3
InChIKeyLJTRGBZPYGJGFF-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.87
Rot. Bonds3

About 7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole (PubChem CID 146334221) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
PubChem CID146334221
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cccc(-c6cc(-c7ccccc7)nc7ccccc67)c45)c3cc21
InChIInChI=1S/C48H32N2O/c1-48(2)38-21-9-6-16-30(38)36-26-37-32-18-8-11-23-42(32)50(44(37)28-39(36)48)43-24-12-20-34-46-33(19-13-25-45(46)51-47(34)43)35-27-41(29-14-4-3-5-15-29)49-40-22-10-7-17-31(35)40/h3-28H,1-2H3
InChIKeyLJTRGBZPYGJGFF-UHFFFAOYSA-N
XLogP12.87
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165076311
7,7-dimethyl-5-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;3,6-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 158726183
7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 170277611
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146337596
7,7-dimethyl-5-[6-(4-phenylquinolin-2-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 118491092
5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 130327268
11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline
CID 138661690
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 161474330
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
CID 118502310
7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole
CID 169060501

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole (CID 146334221) is 7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cccc(-c6cc(-c7ccccc7)nc7ccccc67)c45)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The InChIKey is LJTRGBZPYGJGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-48(2)38-21-9-6-16-30(38)36-26-37-32-18-8-11-23-42(32)50(44(37)28-39(36)48)43-24-12-20-34-46-33(19-13-25-45(46)51-47(34)43)35-27-41(29-14-4-3-5-15-29)49-40-22-10-7-17-31(35)40/h3-28H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole has a molecular weight of 652.80 g/mol, XLogP of 12.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 146334221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).