N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine

C62H43N — CID 169064811

About N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine (PubChem CID 169064811) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine
• PubChem CID: 169064811
• Molecular Formula: C62H43N
• Molecular Weight: 802.03 g/mol
• Exact Mass: 801.34
• IUPAC Name: N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine
• SMILES: CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccccc3-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc21
• InChI: InChI=1S/C62H43N/c1-62(47-25-9-4-10-26-47)57-31-17-15-29-53(57)54-38-36-49(41-58(54)62)63(48-35-33-42-19-11-12-24-45(42)39-48)59-32-18-16-27-50(59)46-34-37-52-51-28-13-14-30-55(51)60(43-20-5-2-6-21-43)61(56(52)40-46)44-22-7-3-8-23-44/h2-41H,1H3
• InChIKey: QFHGENBOBLYWTB-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.03
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine?

The IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine (CID 169064811) is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine.

What is the SMILES notation for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine?

The canonical SMILES for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccccc3-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc21.

What is the InChIKey of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine?

The InChIKey is QFHGENBOBLYWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-62(47-25-9-4-10-26-47)57-31-17-15-29-53(57)54-38-36-49(41-58(54)62)63(48-35-33-42-19-11-12-24-45(42)39-48)59-32-18-16-27-50(59)46-34-37-52-51-28-13-14-30-55(51)60(43-20-5-2-6-21-43)61(56(52)40-46)44-22-7-3-8-23-44/h2-41H,1H3.

What are the key properties of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine?

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine has a molecular weight of 802.03 g/mol, XLogP of 16.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine is sourced from PubChem (CID 169064811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).