3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole

C55H38N2O — CID 159168669

IUPAC3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1C=Cc2c(n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc23)C1
InChIInChI=1S/C55H38N2O/c1-35-15-27-45-48-33-41(40-20-28-51-47(32-40)44-11-5-7-13-50(44)56(51)42-23-16-37(17-24-42)36-9-3-2-4-10-36)21-29-52(48)57(53(45)31-35)43-25-18-38(19-26-43)39-22-30-55-49(34-39)46-12-6-8-14-54(46)58-55/h2-30,32-35H,31H2,1H3
InChIKeyKLKCHQPNGAALIP-UHFFFAOYSA-N
MW742.92 g/mol
LogP14.83
Rot. Bonds5

About 3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole

3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 159168669) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID159168669
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1C=Cc2c(n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc23)C1
InChIInChI=1S/C55H38N2O/c1-35-15-27-45-48-33-41(40-20-28-51-47(32-40)44-11-5-7-13-50(44)56(51)42-23-16-37(17-24-42)36-9-3-2-4-10-36)21-29-52(48)57(53(45)31-35)43-25-18-38(19-26-43)39-22-30-55-49(34-39)46-12-6-8-14-54(46)58-55/h2-30,32-35H,31H2,1H3
InChIKeyKLKCHQPNGAALIP-UHFFFAOYSA-N
XLogP14.83
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 159168669) is 3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole is CC1C=Cc2c(n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc23)C1.
What is the InChIKey of 3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is KLKCHQPNGAALIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-35-15-27-45-48-33-41(40-20-28-51-47(32-40)44-11-5-7-13-50(44)56(51)42-23-16-37(17-24-42)36-9-3-2-4-10-36)21-29-52(48)57(53(45)31-35)43-25-18-38(19-26-43)39-22-30-55-49(34-39)46-12-6-8-14-54(46)58-55/h2-30,32-35H,31H2,1H3.
What are the key properties of 3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 742.92 g/mol, XLogP of 14.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 159168669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).