N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-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

C45H32N2 — CID 145354326

About N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-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-(4-phenylphenyl)-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 145354326) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-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-(4-phenylphenyl)-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: 145354326
• Molecular Formula: C45H32N2
• Molecular Weight: 600.77 g/mol
• Exact Mass: 600.26
• IUPAC Name: N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-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(c3ccc(-c4ccccc4)cc3)c3cccc4c3c3cccc5c6ccccc6n4c53)ccc21
• InChI: InChI=1S/C45H32N2/c1-45(2)38-18-8-6-14-33(38)37-28-32(26-27-39(37)45)46(31-24-22-30(23-25-31)29-12-4-3-5-13-29)41-20-11-21-42-43(41)36-17-10-16-35-34-15-7-9-19-40(34)47(42)44(35)36/h3-28H,1-2H3
• InChIKey: RRWFOUKLNHFRFC-UHFFFAOYSA-N
• XLogP: 12.28
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.77
LogP ≤ 5	12.28
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-(4-phenylphenyl)-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-(4-phenylphenyl)-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 145354326) is N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-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-(4-phenylphenyl)-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-(4-phenylphenyl)-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(c3ccc(-c4ccccc4)cc3)c3cccc4c3c3cccc5c6ccccc6n4c53)ccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-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 RRWFOUKLNHFRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-45(2)38-18-8-6-14-33(38)37-28-32(26-27-39(37)45)46(31-24-22-30(23-25-31)29-12-4-3-5-13-29)41-20-11-21-42-43(41)36-17-10-16-35-34-15-7-9-19-40(34)47(42)44(35)36/h3-28H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-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-(4-phenylphenyl)-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 600.77 g/mol, XLogP of 12.28, 4 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-(4-phenylphenyl)-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 145354326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).