3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole

C43H30N2O — CID 163507706

IUPAC3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole
SMILESCC12C=C(c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)C=CC1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C43H30N2O/c1-43-27-29(20-24-42(43)45(30-11-3-2-4-12-30)39-17-9-7-15-36(39)43)28-19-22-38-34(25-28)32-13-5-8-16-37(32)44(38)31-21-23-41-35(26-31)33-14-6-10-18-40(33)46-41/h2-27,42H,1H3
InChIKeyCZYGOVZIDUEZLH-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.11
Rot. Bonds3

About 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole

3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole (PubChem CID 163507706) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole
PubChem CID163507706
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole
SMILESCC12C=C(c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)C=CC1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C43H30N2O/c1-43-27-29(20-24-42(43)45(30-11-3-2-4-12-30)39-17-9-7-15-36(39)43)28-19-22-38-34(25-28)32-13-5-8-16-37(32)44(38)31-21-23-41-35(26-31)33-14-6-10-18-40(33)46-41/h2-27,42H,1H3
InChIKeyCZYGOVZIDUEZLH-UHFFFAOYSA-N
XLogP11.11
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole
CID 163667096
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
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-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;bis(9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole)
CID 161012876
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
2-[9-(4-dibenzothiophen-1-ylphenyl)-4a-methyl-9aH-carbazol-3-yl]-9-(7,8-dihydronaphthalen-1-yl)carbazole
CID 118534510
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924

Frequently Asked Questions

What is the IUPAC name of 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole?
The IUPAC name of 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole (CID 163507706) is 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole is CC12C=C(c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)C=CC1N(c1ccccc1)c1ccccc12.
What is the InChIKey of 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole?
The InChIKey is CZYGOVZIDUEZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-43-27-29(20-24-42(43)45(30-11-3-2-4-12-30)39-17-9-7-15-36(39)43)28-19-22-38-34(25-28)32-13-5-8-16-37(32)44(38)31-21-23-41-35(26-31)33-14-6-10-18-40(33)46-41/h2-27,42H,1H3.
What are the key properties of 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole?
3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole has a molecular weight of 590.73 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 163507706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).