9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine

C51H36N2 — CID 90148461

About 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine (PubChem CID 90148461) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine
• PubChem CID: 90148461
• Molecular Formula: C51H36N2
• Molecular Weight: 676.86 g/mol
• Exact Mass: 676.29
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C51H36N2/c1-51(2)44-31-35(39-29-30-48-50-43(39)27-23-34-15-12-22-47(49(34)50)53(48)37-18-7-4-8-19-37)24-26-41(44)42-28-25-38(32-45(42)51)52(36-16-5-3-6-17-36)46-21-11-14-33-13-9-10-20-40(33)46/h3-32H,1-2H3
• InChIKey: WHUZMMOLPXYFLE-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 8.17 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	13.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine (CID 90148461) is 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine is CC1(C)c2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine?

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

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine?

9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine has a molecular weight of 676.86 g/mol, XLogP of 13.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine is sourced from PubChem (CID 90148461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).