N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C68H45N3 — CID 118289313

About N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 118289313) has the molecular formula C68H45N3 and a molecular weight of 904.13 g/mol. Its IUPAC name is N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 118289313
• Molecular Formula: C68H45N3
• Molecular Weight: 904.13 g/mol
• Exact Mass: 903.36
• IUPAC Name: N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: c1ccc(N(c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)c3)c2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C68H45N3/c1-3-23-54(24-4-1)69(63-34-16-20-46-18-7-9-28-57(46)63)56-27-15-22-48(43-56)51-40-52(49-37-39-67-62(44-49)60-31-12-13-32-65(60)70(67)55-25-5-2-6-26-55)42-53(41-51)50-36-38-61-59-30-11-14-33-66(59)71(68(61)45-50)64-35-17-21-47-19-8-10-29-58(47)64/h1-45H
• InChIKey: ZGCYJWXNXUJVIT-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.13
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 118289313) is N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)c3)c2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is ZGCYJWXNXUJVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N3/c1-3-23-54(24-4-1)69(63-34-16-20-46-18-7-9-28-57(46)63)56-27-15-22-48(43-56)51-40-52(49-37-39-67-62(44-49)60-31-12-13-32-65(60)70(67)55-25-5-2-6-26-55)42-53(41-51)50-36-38-61-59-30-11-14-33-66(59)71(68(61)45-50)64-35-17-21-47-19-8-10-29-58(47)64/h1-45H.

What are the key properties of N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?

N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 904.13 g/mol, XLogP of 18.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 118289313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).