N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine

C71H52N2 — CID 118175587

About N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine

N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine (PubChem CID 118175587) has the molecular formula C71H52N2 and a molecular weight of 933.21 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
• PubChem CID: 118175587
• Molecular Formula: C71H52N2
• Molecular Weight: 933.21 g/mol
• Exact Mass: 932.41
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccc4c(-c5ccccc5)cc5ccccc5c4c3)cc21
• InChI: InChI=1S/C71H52N2/c1-71(2)69-25-15-14-24-65(69)66-45-43-62(48-70(66)71)73(61-42-44-64-67(55-20-10-5-11-21-55)46-56-22-12-13-23-63(56)68(64)47-61)60-40-32-54(33-41-60)53-30-38-59(39-31-53)72(57-34-26-51(27-35-57)49-16-6-3-7-17-49)58-36-28-52(29-37-58)50-18-8-4-9-19-50/h3-48H,1-2H3
• InChIKey: ZCXBNIBZJGGSHF-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.21
LogP ≤ 5	19.91
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 N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine (CID 118175587) is N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccc4c(-c5ccccc5)cc5ccccc5c4c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine?

The InChIKey is ZCXBNIBZJGGSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H52N2/c1-71(2)69-25-15-14-24-65(69)66-45-43-62(48-70(66)71)73(61-42-44-64-67(55-20-10-5-11-21-55)46-56-22-12-13-23-63(56)68(64)47-61)60-40-32-54(33-41-60)53-30-38-59(39-31-53)72(57-34-26-51(27-35-57)49-16-6-3-7-17-49)58-36-28-52(29-37-58)50-18-8-4-9-19-50/h3-48H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine?

N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine has a molecular weight of 933.21 g/mol, XLogP of 19.91, 10 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)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine is sourced from PubChem (CID 118175587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).