N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine

C51H36N2 — CID 145354496

About N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine

N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine (PubChem CID 145354496) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine
• PubChem CID: 145354496
• Molecular Formula: C51H36N2
• Molecular Weight: 676.86 g/mol
• Exact Mass: 676.29
• IUPAC Name: N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc4c3c3cccc5c6ccccc6n4c53)ccc21
• InChI: InChI=1S/C51H36N2/c1-51(2)44-23-11-9-19-39(44)43-32-37(27-28-45(43)51)52(38-30-35(33-15-5-3-6-16-33)29-36(31-38)34-17-7-4-8-18-34)47-25-14-26-48-49(47)42-22-13-21-41-40-20-10-12-24-46(40)53(48)50(41)42/h3-32H,1-2H3
• InChIKey: AHCUWYUGLMKUOV-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.86
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine?

The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine (CID 145354496) is N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine is CC1(C)c2ccccc2-c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc4c3c3cccc5c6ccccc6n4c53)ccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine?

The InChIKey is AHCUWYUGLMKUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-51(2)44-23-11-9-19-39(44)43-32-37(27-28-45(43)51)52(38-30-35(33-15-5-3-6-16-33)29-36(31-38)34-17-7-4-8-18-34)47-25-14-26-48-49(47)42-22-13-21-41-40-20-10-12-24-46(40)53(48)50(41)42/h3-32H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine?

N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine has a molecular weight of 676.86 g/mol, XLogP of 13.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine is sourced from PubChem (CID 145354496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).