1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine

C40H52N2Si — CID 162284566

About 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine

1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine (PubChem CID 162284566) has the molecular formula C40H52N2Si and a molecular weight of 588.96 g/mol. Its IUPAC name is 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine.

Molecular Properties

• Compound Name: 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine
• PubChem CID: 162284566
• Molecular Formula: C40H52N2Si
• Molecular Weight: 588.96 g/mol
• Exact Mass: 588.39
• IUPAC Name: 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine
• SMILES: CC1(C)C2=CC3C(C=C2c2ccc(N(c4ccccc4)c4ccccc4)cc21)CCC3[Si](C)(C)N(C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C40H52N2Si/c1-38(2,3)42(39(4,5)6)43(9,10)37-24-21-28-25-34-32-23-22-31(26-35(32)40(7,8)36(34)27-33(28)37)41(29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-20,22-23,25-28,33,37H,21,24H2,1-10H3
• InChIKey: ZTPIVMAESXYJBS-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.96
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine?

The IUPAC name of 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine (CID 162284566) is 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine.

What is the SMILES notation for 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine?

The canonical SMILES for 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine is CC1(C)C2=CC3C(C=C2c2ccc(N(c4ccccc4)c4ccccc4)cc21)CCC3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.

What is the InChIKey of 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine?

The InChIKey is ZTPIVMAESXYJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52N2Si/c1-38(2,3)42(39(4,5)6)43(9,10)37-24-21-28-25-34-32-23-22-31(26-35(32)40(7,8)36(34)27-33(28)37)41(29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-20,22-23,25-28,33,37H,21,24H2,1-10H3.

What are the key properties of 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine?

1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine has a molecular weight of 588.96 g/mol, XLogP of 11.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(ditert-butylamino)-dimethylsilyl]-9,9-dimethyl-N,N-diphenyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-7-amine is sourced from PubChem (CID 162284566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).