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

C53H37NO — CID 122599263

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

9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 122599263) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 122599263
• Molecular Formula: C53H37NO
• Molecular Weight: 703.89 g/mol
• Exact Mass: 703.29
• IUPAC Name: 9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6oc7cccc8ccc5c6c87)cc4)cc3)cc21
• InChI: InChI=1S/C53H37NO/c1-53(2)47-13-7-6-12-44(47)45-30-28-42(33-48(45)53)54(40-24-19-36(20-25-40)34-9-4-3-5-10-34)41-26-21-37(22-27-41)35-15-17-38(18-16-35)43-31-32-50-52-46(43)29-23-39-11-8-14-49(55-50)51(39)52/h3-33H,1-2H3
• InChIKey: HCIQPDGFJHOLBX-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.89
LogP ≤ 5	14.95
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-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 122599263) is 9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6oc7cccc8ccc5c6c87)cc4)cc3)cc21.

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

The InChIKey is HCIQPDGFJHOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)47-13-7-6-12-44(47)45-30-28-42(33-48(45)53)54(40-24-19-36(20-25-40)34-9-4-3-5-10-34)41-26-21-37(22-27-41)35-15-17-38(18-16-35)43-31-32-50-52-46(43)29-23-39-11-8-14-49(55-50)51(39)52/h3-33H,1-2H3.

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

9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 703.89 g/mol, XLogP of 14.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 122599263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).