6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine

C38H63N — CID 171755426

About 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine

6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine (PubChem CID 171755426) has the molecular formula C38H63N and a molecular weight of 533.93 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine.

Molecular Properties

• Compound Name: 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine
• PubChem CID: 171755426
• Molecular Formula: C38H63N
• Molecular Weight: 533.93 g/mol
• Exact Mass: 533.50
• IUPAC Name: 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine
• SMILES: C1CCC(N(C2CCCCC2)C2CCC3C(CC4C5CCCCC5CC(C5CC6CCCCC6C5)C34)C2)CC1
• InChI: InChI=1S/C38H63N/c1-3-14-31(15-4-1)39(32-16-5-2-6-17-32)33-19-20-35-30(23-33)25-37-34-18-10-9-13-28(34)24-36(38(35)37)29-21-26-11-7-8-12-27(26)22-29/h26-38H,1-25H2
• InChIKey: LGTILYBVLTVDEI-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.93
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine?

The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine (CID 171755426) is 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine.

What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine?

The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine is C1CCC(N(C2CCCCC2)C2CCC3C(CC4C5CCCCC5CC(C5CC6CCCCC6C5)C34)C2)CC1.

What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine?

The InChIKey is LGTILYBVLTVDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H63N/c1-3-14-31(15-4-1)39(32-16-5-2-6-17-32)33-19-20-35-30(23-33)25-37-34-18-10-9-13-28(34)24-36(38(35)37)29-21-26-11-7-8-12-27(26)22-29/h26-38H,1-25H2.

What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine?

6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine has a molecular weight of 533.93 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-N,N-dicyclohexyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-amine is sourced from PubChem (CID 171755426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).