(4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole

C34H51N — CID 143374397

IUPAC(4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole
SMILESC1=CCC(C2CCC3CCC4C5C(CCC2C35)CCC4[C@H]2C=CC3NC4CCCCC4[C@H]3C2)CC1
InChIInChI=1S/C34H51N/c1-2-6-21(7-3-1)25-15-10-22-13-18-29-26(16-11-23-12-17-28(25)33(22)34(23)29)24-14-19-32-30(20-24)27-8-4-5-9-31(27)35-32/h1-2,14,19,21-35H,3-13,15-18,20H2/t21?,22?,23?,24-,25?,26?,27?,28?,29?,30+,31?,32?,33?,34?/m0/s1
InChIKeyZOBDFROJVUZXKO-SKZKIKAASA-N
MW473.79 g/mol
LogP8.17
Rot. Bonds2

About (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole

(4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole (PubChem CID 143374397) has the molecular formula C34H51N and a molecular weight of 473.79 g/mol. Its IUPAC name is (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole.

Molecular Properties

Compound Name(4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole
PubChem CID143374397
Molecular FormulaC34H51N
Molecular Weight473.79 g/mol
Exact Mass473.40
IUPAC Name(4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole
SMILESC1=CCC(C2CCC3CCC4C5C(CCC2C35)CCC4[C@H]2C=CC3NC4CCCCC4[C@H]3C2)CC1
InChIInChI=1S/C34H51N/c1-2-6-21(7-3-1)25-15-10-22-13-18-29-26(16-11-23-12-17-28(25)33(22)34(23)29)24-14-19-32-30(20-24)27-8-4-5-9-31(27)35-32/h1-2,14,19,21-35H,3-13,15-18,20H2/t21?,22?,23?,24-,25?,26?,27?,28?,29?,30+,31?,32?,33?,34?/m0/s1
InChIKeyZOBDFROJVUZXKO-SKZKIKAASA-N
XLogP8.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole?
The IUPAC name of (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole (CID 143374397) is (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole.
What is the SMILES notation for (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole?
The canonical SMILES for (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole is C1=CCC(C2CCC3CCC4C5C(CCC2C35)CCC4[C@H]2C=CC3NC4CCCCC4[C@H]3C2)CC1.
What is the InChIKey of (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole?
The InChIKey is ZOBDFROJVUZXKO-SKZKIKAASA-N. The full InChI is InChI=1S/C34H51N/c1-2-6-21(7-3-1)25-15-10-22-13-18-29-26(16-11-23-12-17-28(25)33(22)34(23)29)24-14-19-32-30(20-24)27-8-4-5-9-31(27)35-32/h1-2,14,19,21-35H,3-13,15-18,20H2/t21?,22?,23?,24-,25?,26?,27?,28?,29?,30+,31?,32?,33?,34?/m0/s1.
What are the key properties of (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole?
(4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole has a molecular weight of 473.79 g/mol, XLogP of 8.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,6R)-6-[(8aS)-6-cyclohex-3-en-1-yl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyren-1-yl]-2,3,4,4a,4b,5,6,8a,9,9a-decahydro-1H-carbazole is sourced from PubChem (CID 143374397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).