N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine

C60H46N2P+ — CID 135140397

About N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine (PubChem CID 135140397) has the molecular formula C60H46N2P+ and a molecular weight of 826.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine
• PubChem CID: 135140397
• Molecular Formula: C60H46N2P+
• Molecular Weight: 826.02 g/mol
• Exact Mass: 825.34
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)[P+](C)(C)c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccccc3-c3ccccc3)cc21
• InChI: InChI=1S/C60H46N2P/c1-59(2)47-25-11-8-22-43(47)44-35-33-40(37-52(44)59)61(53-29-14-9-21-42(53)39-19-6-5-7-20-39)41-34-36-50-57(38-41)63(3,4)56-32-17-13-27-49(56)60(50)48-26-12-16-31-55(48)62-54-30-15-10-23-45(54)46-24-18-28-51(60)58(46)62/h5-38H,1-4H3/q+1
• InChIKey: FASQAOVJBTXAFY-UHFFFAOYSA-N
• XLogP: 14.46
• 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	826.02
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine (CID 135140397) is N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)[P+](C)(C)c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccccc3-c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine?

The InChIKey is FASQAOVJBTXAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2P/c1-59(2)47-25-11-8-22-43(47)44-35-33-40(37-52(44)59)61(53-29-14-9-21-42(53)39-19-6-5-7-20-39)41-34-36-50-57(38-41)63(3,4)56-32-17-13-27-49(56)60(50)48-26-12-16-31-55(48)62-54-30-15-10-23-45(54)46-24-18-28-51(60)58(46)62/h5-38H,1-4H3/q+1.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine?

N-(9,9-dimethylfluoren-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine has a molecular weight of 826.02 g/mol, XLogP of 14.46, 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-2-yl)-5',5'-dimethyl-N-(2-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'-acridophosphin-5-ium]-3'-amine is sourced from PubChem (CID 135140397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).