3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole

C43H30N2O — CID 163455358

IUPAC3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESCC12C=CC(n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)=CC1c1ccccc1O2
InChIInChI=1S/C43H30N2O/c1-43-24-23-31(27-37(43)34-15-7-10-18-42(34)46-43)45-39-17-9-6-14-33(39)36-26-29(20-22-41(36)45)28-19-21-40-35(25-28)32-13-5-8-16-38(32)44(40)30-11-3-2-4-12-30/h2-27,37H,1H3
InChIKeyBJZOKDYDHNQFDA-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.90
Rot. Bonds3

About 3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 163455358) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID163455358
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESCC12C=CC(n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)=CC1c1ccccc1O2
InChIInChI=1S/C43H30N2O/c1-43-24-23-31(27-37(43)34-15-7-10-18-42(34)46-43)45-39-17-9-6-14-33(39)36-26-29(20-22-41(36)45)28-19-21-40-35(25-28)32-13-5-8-16-38(32)44(40)30-11-3-2-4-12-30/h2-27,37H,1H3
InChIKeyBJZOKDYDHNQFDA-UHFFFAOYSA-N
XLogP10.90
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole
CID 71234625
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole
CID 121262423

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 163455358) is 3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole is CC12C=CC(n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)=CC1c1ccccc1O2.
What is the InChIKey of 3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is BJZOKDYDHNQFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-43-24-23-31(27-37(43)34-15-7-10-18-42(34)46-43)45-39-17-9-6-14-33(39)36-26-29(20-22-41(36)45)28-19-21-40-35(25-28)32-13-5-8-16-38(32)44(40)30-11-3-2-4-12-30/h2-27,37H,1H3.
What are the key properties of 3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 590.73 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 163455358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).