N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine

C64H45N3 — CID 70918178

About N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine

N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine (PubChem CID 70918178) has the molecular formula C64H45N3 and a molecular weight of 856.09 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine
• PubChem CID: 70918178
• Molecular Formula: C64H45N3
• Molecular Weight: 856.09 g/mol
• Exact Mass: 855.36
• IUPAC Name: N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine
• SMILES: C1=CC2c3cc(N(c4ccc5ccccc5c4)c4ccc(-c5ccc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)cc5)c5ccccc45)ccc3N(c3ccccc3)C2C=C1
• InChI: InChI=1S/C64H45N3/c1-2-21-50(22-3-1)67-62-27-13-12-26-59(62)60-43-54(37-39-64(60)67)66(53-36-30-45-16-5-7-19-49(45)42-53)63-40-38-55(57-24-10-11-25-58(57)63)47-31-33-51(34-32-47)65(52-35-29-44-15-4-6-18-48(44)41-52)61-28-14-20-46-17-8-9-23-56(46)61/h1-43,59,62H
• InChIKey: QXGDOWQQFXZYJD-UHFFFAOYSA-N
• XLogP: 17.64
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.09
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine?

The IUPAC name of N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine (CID 70918178) is N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine.

What is the SMILES notation for N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine?

The canonical SMILES for N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine is C1=CC2c3cc(N(c4ccc5ccccc5c4)c4ccc(-c5ccc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)cc5)c5ccccc45)ccc3N(c3ccccc3)C2C=C1.

What is the InChIKey of N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine?

The InChIKey is QXGDOWQQFXZYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N3/c1-2-21-50(22-3-1)67-62-27-13-12-26-59(62)60-43-54(37-39-64(60)67)66(53-36-30-45-16-5-7-19-49(45)42-53)63-40-38-55(57-24-10-11-25-58(57)63)47-31-33-51(34-32-47)65(52-35-29-44-15-4-6-18-48(44)41-52)61-28-14-20-46-17-8-9-23-56(46)61/h1-43,59,62H.

What are the key properties of N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine?

N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine has a molecular weight of 856.09 g/mol, XLogP of 17.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine is sourced from PubChem (CID 70918178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).