9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole

C38H30N2O — CID 163921758

IUPAC9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole
SMILESCC12C=CC=CC1N(C1(C)C=C(n3c4ccccc4c4ccccc43)c3oc4ccccc4c3C1)c1ccccc12
InChIInChI=1S/C38H30N2O/c1-37(40-32-19-9-6-16-29(32)38(2)22-12-11-21-35(38)40)23-28-27-15-5-10-20-34(27)41-36(28)33(24-37)39-30-17-7-3-13-25(30)26-14-4-8-18-31(26)39/h3-22,24,35H,23H2,1-2H3
InChIKeyRAZNQBJMBSCLKC-UHFFFAOYSA-N
MW530.67 g/mol
LogP9.02
Rot. Bonds2

About 9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole

9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole (PubChem CID 163921758) has the molecular formula C38H30N2O and a molecular weight of 530.67 g/mol. Its IUPAC name is 9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole
PubChem CID163921758
Molecular FormulaC38H30N2O
Molecular Weight530.67 g/mol
Exact Mass530.24
IUPAC Name9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole
SMILESCC12C=CC=CC1N(C1(C)C=C(n3c4ccccc4c4ccccc43)c3oc4ccccc4c3C1)c1ccccc12
InChIInChI=1S/C38H30N2O/c1-37(40-32-19-9-6-16-29(32)38(2)22-12-11-21-35(38)40)23-28-27-15-5-10-20-34(27)41-36(28)33(24-37)39-30-17-7-3-13-25(30)26-14-4-8-18-31(26)39/h3-22,24,35H,23H2,1-2H3
InChIKeyRAZNQBJMBSCLKC-UHFFFAOYSA-N
XLogP9.02
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-(4b-methyl-8aH-carbazol-9-yl)-5-carbazol-9-ylphenyl]carbazole
CID 91518473
9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 165037523
3-(4a,4b-dimethyl-8a,9a-dihydrocarbazol-9-yl)-9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-methyl-4H-carbazole
CID 163729639
5-([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(4b-methyl-8aH-carbazol-9-yl)phenyl]cyclohexa-1,5-diene-1-carbonitrile
CID 155299841
5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 167043609
1-[4-(9a-methyl-5aH-dibenzofuran-4-yl)phenyl]-3-dibenzofuran-1-ylquinazoline-2,4-dione
CID 163832982
11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126695598
4b-methyl-9-(3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-9-yl)-8aH-carbazole
CID 165103646
3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole
CID 166699821
3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole
CID 163507706
4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole
CID 163785582
3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170369165

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole (CID 163921758) is 9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole is CC12C=CC=CC1N(C1(C)C=C(n3c4ccccc4c4ccccc43)c3oc4ccccc4c3C1)c1ccccc12.
What is the InChIKey of 9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole?
The InChIKey is RAZNQBJMBSCLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2O/c1-37(40-32-19-9-6-16-29(32)38(2)22-12-11-21-35(38)40)23-28-27-15-5-10-20-34(27)41-36(28)33(24-37)39-30-17-7-3-13-25(30)26-14-4-8-18-31(26)39/h3-22,24,35H,23H2,1-2H3.
What are the key properties of 9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole?
9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole has a molecular weight of 530.67 g/mol, XLogP of 9.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4b-methyl-8aH-carbazol-9-yl)-2-methyl-1H-dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 163921758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).