11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole

C35H37N — CID 130351366

IUPAC11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole
SMILESCC12CCCCC1N(c1ccc(-c3ccccc3)cc1)C1CCC3C=C(c4ccccc4)C=CC3C12
InChIInChI=1S/C35H37N/c1-35-23-9-8-14-33(35)36(30-19-15-27(16-20-30)25-10-4-2-5-11-25)32-22-18-29-24-28(17-21-31(29)34(32)35)26-12-6-3-7-13-26/h2-7,10-13,15-17,19-21,24,29,31-34H,8-9,14,18,22-23H2,1H3
InChIKeySTVYKVUNTKNQFY-UHFFFAOYSA-N
MW471.69 g/mol
LogP8.79
Rot. Bonds3

About 11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole

11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole (PubChem CID 130351366) has the molecular formula C35H37N and a molecular weight of 471.69 g/mol. Its IUPAC name is 11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole.

Molecular Properties

Compound Name11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole
PubChem CID130351366
Molecular FormulaC35H37N
Molecular Weight471.69 g/mol
Exact Mass471.29
IUPAC Name11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole
SMILESCC12CCCCC1N(c1ccc(-c3ccccc3)cc1)C1CCC3C=C(c4ccccc4)C=CC3C12
InChIInChI=1S/C35H37N/c1-35-23-9-8-14-33(35)36(30-19-15-27(16-20-30)25-10-4-2-5-11-25)32-22-18-29-24-28(17-21-31(29)34(32)35)26-12-6-3-7-13-26/h2-7,10-13,15-17,19-21,24,29,31-34H,8-9,14,18,22-23H2,1H3
InChIKeySTVYKVUNTKNQFY-UHFFFAOYSA-N
XLogP8.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole?
The IUPAC name of 11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole (CID 130351366) is 11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole.
What is the SMILES notation for 11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole?
The canonical SMILES for 11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole is CC12CCCCC1N(c1ccc(-c3ccccc3)cc1)C1CCC3C=C(c4ccccc4)C=CC3C12.
What is the InChIKey of 11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole?
The InChIKey is STVYKVUNTKNQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N/c1-35-23-9-8-14-33(35)36(30-19-15-27(16-20-30)25-10-4-2-5-11-25)32-22-18-29-24-28(17-21-31(29)34(32)35)26-12-6-3-7-13-26/h2-7,10-13,15-17,19-21,24,29,31-34H,8-9,14,18,22-23H2,1H3.
What are the key properties of 11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole?
11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole has a molecular weight of 471.69 g/mol, XLogP of 8.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11a-methyl-3-phenyl-7-(4-phenylphenyl)-5,6,6a,7a,8,9,10,11,11b,11c-decahydro-4aH-benzo[c]carbazole is sourced from PubChem (CID 130351366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).