9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine

C119H76N5O3P — CID 134353504

About 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine (PubChem CID 134353504) has the molecular formula C119H76N5O3P and a molecular weight of 1654.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine
• PubChem CID: 134353504
• Molecular Formula: C119H76N5O3P
• Molecular Weight: 1654.92 g/mol
• Exact Mass: 1653.57
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccc(-c6cccc(P(=O)(c7ccccc7)c7ccc(-n8c9ccccc9c9cc%10c(cc98)C8(c9ccccc9O%10)c9ccccc9-n9c%10ccccc%10c%10cccc8c%109)cc7)c6)cc5c5cc6c(cc54)C4(c5ccccc5O6)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc21
• InChI: InChI=1S/C119H76N5O3P/c1-117(2)93-40-13-9-34-83(93)84-64-61-79(68-100(84)117)120(75-29-5-3-6-30-75)76-55-57-77(58-56-76)122-106-65-54-74(67-90(106)92-70-114-102(72-110(92)122)119(97-44-17-24-53-112(97)127-114)95-42-15-22-51-108(95)124-105-49-20-11-36-86(105)89-39-27-46-99(119)116(89)124)73-28-25-33-82(66-73)128(125,80-31-7-4-8-32-80)81-62-59-78(60-63-81)121-103-47-18-12-37-87(103)91-69-113-101(71-109(91)121)118(96-43-16-23-52-111(96)126-113)94-41-14-21-50-107(94)123-104-48-19-10-35-85(104)88-38-26-45-98(118)115(88)123/h3-72H,1-2H3
• InChIKey: DBIHXVIBQNDLRI-UHFFFAOYSA-N
• XLogP: 28.76
• TPSA: 58.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1654.92
LogP ≤ 5	28.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine (CID 134353504) is 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccc(-c6cccc(P(=O)(c7ccccc7)c7ccc(-n8c9ccccc9c9cc%10c(cc98)C8(c9ccccc9O%10)c9ccccc9-n9c%10ccccc%10c%10cccc8c%109)cc7)c6)cc5c5cc6c(cc54)C4(c5ccccc5O6)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine?

The InChIKey is DBIHXVIBQNDLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C119H76N5O3P/c1-117(2)93-40-13-9-34-83(93)84-64-61-79(68-100(84)117)120(75-29-5-3-6-30-75)76-55-57-77(58-56-76)122-106-65-54-74(67-90(106)92-70-114-102(72-110(92)122)119(97-44-17-24-53-112(97)127-114)95-42-15-22-51-108(95)124-105-49-20-11-36-86(105)89-39-27-46-99(119)116(89)124)73-28-25-33-82(66-73)128(125,80-31-7-4-8-32-80)81-62-59-78(60-63-81)121-103-47-18-12-37-87(103)91-69-113-101(71-109(91)121)118(96-43-16-23-52-111(96)126-113)94-41-14-21-50-107(94)123-104-48-19-10-35-85(104)88-38-26-45-98(118)115(88)123/h3-72H,1-2H3.

What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine has a molecular weight of 1654.92 g/mol, XLogP of 28.76, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-[4-[6'-[3-[phenyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)phosphoryl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene]-10'-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 134353504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).