3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole

C40H31NO — CID 123689963

IUPAC3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)cc(-c2ccc3oc4c(C)cccc4c3c2)c1
InChIInChI=1S/C40H31NO/c1-24-8-15-37-34(20-24)35-21-25(2)9-16-38(35)41(37)32-13-10-28(11-14-32)30-18-26(3)19-31(22-30)29-12-17-39-36(23-29)33-7-5-6-27(4)40(33)42-39/h5-23H,1-4H3
InChIKeyIEYVYLNDFDUYSW-UHFFFAOYSA-N
MW541.69 g/mol
LogP11.25
Rot. Bonds3

About 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole

3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole (PubChem CID 123689963) has the molecular formula C40H31NO and a molecular weight of 541.69 g/mol. Its IUPAC name is 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole
PubChem CID123689963
Molecular FormulaC40H31NO
Molecular Weight541.69 g/mol
Exact Mass541.24
IUPAC Name3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)cc(-c2ccc3oc4c(C)cccc4c3c2)c1
InChIInChI=1S/C40H31NO/c1-24-8-15-37-34(20-24)35-21-25(2)9-16-38(35)41(37)32-13-10-28(11-14-32)30-18-26(3)19-31(22-30)29-12-17-39-36(23-29)33-7-5-6-27(4)40(33)42-39/h5-23H,1-4H3
InChIKeyIEYVYLNDFDUYSW-UHFFFAOYSA-N
XLogP11.25
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.69
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole 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

1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran
CID 160797510
2,8-dimethyldibenzofuran;3,6-dimethyl-9-phenylcarbazole;2-methyl-8-(8-methyldibenzofuran-2-yl)dibenzofuran;3-methyl-6-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;2-methyl-8-[3-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran;3-methyl-6-[8-(6-methyl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2-methyl-8-(3-methylphenyl)dibenzofuran
CID 160962329
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole
CID 134370621
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161457454
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081
3-(9-dibenzofuran-2-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-3-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-4-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-2-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-3-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-4-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole
CID 159023414
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole (CID 123689963) is 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole is Cc1cc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)cc(-c2ccc3oc4c(C)cccc4c3c2)c1.
What is the InChIKey of 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole?
The InChIKey is IEYVYLNDFDUYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31NO/c1-24-8-15-37-34(20-24)35-21-25(2)9-16-38(35)41(37)32-13-10-28(11-14-32)30-18-26(3)19-31(22-30)29-12-17-39-36(23-29)33-7-5-6-27(4)40(33)42-39/h5-23H,1-4H3.
What are the key properties of 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole?
3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole has a molecular weight of 541.69 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 123689963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).