(13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine

C61H46N2 — CID 146519617

About (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine

(13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine (PubChem CID 146519617) has the molecular formula C61H46N2 and a molecular weight of 807.05 g/mol. Its IUPAC name is (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine.

Molecular Properties

• Compound Name: (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine
• PubChem CID: 146519617
• Molecular Formula: C61H46N2
• Molecular Weight: 807.05 g/mol
• Exact Mass: 806.37
• IUPAC Name: (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C(C)(C)c3ccccc3[C@]43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21
• InChI: InChI=1S/C61H46N2/c1-59(2)47-23-10-8-20-43(47)44-37-36-42(38-53(44)59)62(41-34-32-40(33-35-41)39-18-6-5-7-19-39)56-31-17-27-51-57(56)60(3,4)48-24-11-12-25-49(48)61(51)50-26-13-15-30-55(50)63-54-29-14-9-21-45(54)46-22-16-28-52(61)58(46)63/h5-38H,1-4H3/t61-/m0/s1
• InChIKey: BCUBVADTACVATG-WMNDHARXSA-N
• XLogP: 15.56
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.05
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine?

The IUPAC name of (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine (CID 146519617) is (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine.

What is the SMILES notation for (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine?

The canonical SMILES for (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C(C)(C)c3ccccc3[C@]43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.

What is the InChIKey of (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine?

The InChIKey is BCUBVADTACVATG-WMNDHARXSA-N. The full InChI is InChI=1S/C61H46N2/c1-59(2)47-23-10-8-20-43(47)44-37-36-42(38-53(44)59)62(41-34-32-40(33-35-41)39-18-6-5-7-19-39)56-31-17-27-51-57(56)60(3,4)48-24-11-12-25-49(48)61(51)50-26-13-15-30-55(50)63-54-29-14-9-21-45(54)46-22-16-28-52(61)58(46)63/h5-38H,1-4H3/t61-/m0/s1.

What are the key properties of (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine?

(13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine has a molecular weight of 807.05 g/mol, XLogP of 15.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine is sourced from PubChem (CID 146519617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).