4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole

C37H30N2 — CID 130453266

IUPAC4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole
SMILESCC12C=C(C3=CCC4C(=C3)c3ccccc3N4c3ccccc3)C=CC1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C37H30N2/c1-37-25-27(21-23-36(37)39(29-14-6-3-7-15-29)35-19-11-9-17-32(35)37)26-20-22-34-31(24-26)30-16-8-10-18-33(30)38(34)28-12-4-2-5-13-28/h2-21,23-25,34,36H,22H2,1H3
InChIKeyQZSDJSTWBYPNQH-UHFFFAOYSA-N
MW502.66 g/mol
LogP8.89
Rot. Bonds3

About 4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole

4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole (PubChem CID 130453266) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole.

Molecular Properties

Compound Name4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole
PubChem CID130453266
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Name4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole
SMILESCC12C=C(C3=CCC4C(=C3)c3ccccc3N4c3ccccc3)C=CC1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C37H30N2/c1-37-25-27(21-23-36(37)39(29-14-6-3-7-15-29)35-19-11-9-17-32(35)37)26-20-22-34-31(24-26)30-16-8-10-18-33(30)38(34)28-12-4-2-5-13-28/h2-21,23-25,34,36H,22H2,1H3
InChIKeyQZSDJSTWBYPNQH-UHFFFAOYSA-N
XLogP8.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1H-Indolium, 1-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-2-methyl-, chloride (1:1)
CID 111196
1H-Indole, 2,3-dihydro-3,3-dimethyl-2-methylene-1-phenyl-
CID 78895
2,3-Dihydro-N,3-dimethyl-1-phenyl-1H-indole-3-propanamine
CID 31707
CB2 Inhibitor, 3
CID 3435465
(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-2-[(E)-4-(4-fluorophenyl)but-3-enyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 12666055
1,2,3,3-Tetramethylindoline
CID 594839
3H-Indolium, 1-heptyl-2-(3-(1-heptyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-3,3-dimethyl-, (T-4)-butyltriphenylborate(1-) (1:1)
CID 14344695
3H-Indolium, 1-heptyl-2-[5-(1-heptyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-, (T-4)-butyltriphenylborate(1-) (1:1)
CID 44151166
(4aS,9bR)-2-methyl-5-phenyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
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(4aS,9bR)-2-benzyl-5-phenyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
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Frequently Asked Questions

What is the IUPAC name of 4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole?
The IUPAC name of 4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole (CID 130453266) is 4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole.
What is the SMILES notation for 4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole?
The canonical SMILES for 4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole is CC12C=C(C3=CCC4C(=C3)c3ccccc3N4c3ccccc3)C=CC1N(c1ccccc1)c1ccccc12.
What is the InChIKey of 4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole?
The InChIKey is QZSDJSTWBYPNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2/c1-37-25-27(21-23-36(37)39(29-14-6-3-7-15-29)35-19-11-9-17-32(35)37)26-20-22-34-31(24-26)30-16-8-10-18-33(30)38(34)28-12-4-2-5-13-28/h2-21,23-25,34,36H,22H2,1H3.
What are the key properties of 4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole?
4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole has a molecular weight of 502.66 g/mol, XLogP of 8.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole is sourced from PubChem (CID 130453266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).