N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine

C67H57N — CID 171404286

About N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine

N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine (PubChem CID 171404286) has the molecular formula C67H57N and a molecular weight of 876.20 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine.

Molecular Properties

• Compound Name: N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
• PubChem CID: 171404286
• Molecular Formula: C67H57N
• Molecular Weight: 876.20 g/mol
• Exact Mass: 875.45
• IUPAC Name: N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
• SMILES: CC(C)(C)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6C(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)c6ccccc6-7)CC3CCC5C4)cc2)cc1
• InChI: InChI=1S/C67H57N/c1-66(2,3)51-34-29-44(30-35-51)45-31-38-55(39-32-45)68(54-23-11-6-12-24-54)61-28-16-22-50-42-53-37-36-52-41-49-21-15-27-59(64(49)67(52,53)65(50)61)62(46-17-7-4-8-18-46)48-33-40-57-56-25-13-14-26-58(56)63(60(57)43-48)47-19-9-5-10-20-47/h4-35,38-40,43,52-53,62-63H,36-37,41-42H2,1-3H3
• InChIKey: UTLHQMCLVMJBMH-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.20
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?

The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine (CID 171404286) is N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine.

What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?

The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6C(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)c6ccccc6-7)CC3CCC5C4)cc2)cc1.

What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?

The InChIKey is UTLHQMCLVMJBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H57N/c1-66(2,3)51-34-29-44(30-35-51)45-31-38-55(39-32-45)68(54-23-11-6-12-24-54)61-28-16-22-50-42-53-37-36-52-41-49-21-15-27-59(64(49)67(52,53)65(50)61)62(46-17-7-4-8-18-46)48-33-40-57-56-25-13-14-26-58(56)63(60(57)43-48)47-19-9-5-10-20-47/h4-35,38-40,43,52-53,62-63H,36-37,41-42H2,1-3H3.

What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?

N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine has a molecular weight of 876.20 g/mol, XLogP of 16.89, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine is sourced from PubChem (CID 171404286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).