N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine

C70H46N2 — CID 88951508

About N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine

N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine (PubChem CID 88951508) has the molecular formula C70H46N2 and a molecular weight of 915.15 g/mol. Its IUPAC name is N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine.

Molecular Properties

• Compound Name: N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine
• PubChem CID: 88951508
• Molecular Formula: C70H46N2
• Molecular Weight: 915.15 g/mol
• Exact Mass: 914.37
• IUPAC Name: N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine
• SMILES: c1ccc(C(=C2c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c(ccc6ccccc65)c4)cc32)c2ccccc2)cc1
• InChI: InChI=1S/C70H46N2/c1-4-16-47(17-5-1)48-30-37-56(38-31-48)72-67-27-15-14-25-63(67)65-45-53(34-43-68(65)72)49-32-35-55(36-33-49)71(57-39-41-60-54(44-57)29-28-50-18-10-11-23-59(50)60)58-40-42-62-61-24-12-13-26-64(61)70(66(62)46-58)69(51-19-6-2-7-20-51)52-21-8-3-9-22-52/h1-46H
• InChIKey: SSTFOLLATVMOSK-UHFFFAOYSA-N
• XLogP: 18.88
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.15
LogP ≤ 5	18.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine?

The IUPAC name of N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine (CID 88951508) is N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine.

What is the SMILES notation for N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine?

The canonical SMILES for N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine is c1ccc(C(=C2c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c(ccc6ccccc65)c4)cc32)c2ccccc2)cc1.

What is the InChIKey of N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine?

The InChIKey is SSTFOLLATVMOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2/c1-4-16-47(17-5-1)48-30-37-56(38-31-48)72-67-27-15-14-25-63(67)65-45-53(34-43-68(65)72)49-32-35-55(36-33-49)71(57-39-41-60-54(44-57)29-28-50-18-10-11-23-59(50)60)58-40-42-62-61-24-12-13-26-64(61)70(66(62)46-58)69(51-19-6-2-7-20-51)52-21-8-3-9-22-52/h1-46H.

What are the key properties of N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine?

N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine has a molecular weight of 915.15 g/mol, XLogP of 18.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine is sourced from PubChem (CID 88951508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).