7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole

C37H57N3 — CID 155148797

IUPAC7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole
SMILESCN1C(C2CC=CCC2)C2CCC=CC2NC1N1C2CC(C3CCCCC3)CCC2C2C3=C(CCCC3)CCC21
InChIInChI=1S/C37H57N3/c1-39-36(27-15-6-3-7-16-27)30-18-10-11-19-32(30)38-37(39)40-33-23-21-26-14-8-9-17-29(26)35(33)31-22-20-28(24-34(31)40)25-12-4-2-5-13-25/h3,6,11,19,25,27-28,30-38H,2,4-5,7-10,12-18,20-24H2,1H3
InChIKeyFNBPXEMYOGWEFI-UHFFFAOYSA-N
MW543.88 g/mol
LogP8.19
Rot. Bonds3

About 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole

7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole (PubChem CID 155148797) has the molecular formula C37H57N3 and a molecular weight of 543.88 g/mol. Its IUPAC name is 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole.

Molecular Properties

Compound Name7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole
PubChem CID155148797
Molecular FormulaC37H57N3
Molecular Weight543.88 g/mol
Exact Mass543.46
IUPAC Name7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole
SMILESCN1C(C2CC=CCC2)C2CCC=CC2NC1N1C2CC(C3CCCCC3)CCC2C2C3=C(CCCC3)CCC21
InChIInChI=1S/C37H57N3/c1-39-36(27-15-6-3-7-16-27)30-18-10-11-19-32(30)38-37(39)40-33-23-21-26-14-8-9-17-29(26)35(33)31-22-20-28(24-34(31)40)25-12-4-2-5-13-25/h3,6,11,19,25,27-28,30-38H,2,4-5,7-10,12-18,20-24H2,1H3
InChIKeyFNBPXEMYOGWEFI-UHFFFAOYSA-N
XLogP8.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.88
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole?
The IUPAC name of 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole (CID 155148797) is 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole.
What is the SMILES notation for 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole?
The canonical SMILES for 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole is CN1C(C2CC=CCC2)C2CCC=CC2NC1N1C2CC(C3CCCCC3)CCC2C2C3=C(CCCC3)CCC21.
What is the InChIKey of 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole?
The InChIKey is FNBPXEMYOGWEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H57N3/c1-39-36(27-15-6-3-7-16-27)30-18-10-11-19-32(30)38-37(39)40-33-23-21-26-14-8-9-17-29(26)35(33)31-22-20-28(24-34(31)40)25-12-4-2-5-13-25/h3,6,11,19,25,27-28,30-38H,2,4-5,7-10,12-18,20-24H2,1H3.
What are the key properties of 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole?
7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole has a molecular weight of 543.88 g/mol, XLogP of 8.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclohex-3-en-1-yl-3-methyl-2,4,4a,5,6,8a-hexahydro-1H-quinazolin-2-yl)-9-cyclohexyl-1,2,3,4,5,6,6a,7a,8,9,10,11,11a,11b-tetradecahydrobenzo[c]carbazole is sourced from PubChem (CID 155148797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).