3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine

C116H82N6 — CID 162088224

About 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine

3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine (PubChem CID 162088224) has the molecular formula C116H82N6 and a molecular weight of 1559.97 g/mol. Its IUPAC name is 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
• PubChem CID: 162088224
• Molecular Formula: C116H82N6
• Molecular Weight: 1559.97 g/mol
• Exact Mass: 1558.66
• IUPAC Name: 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
• SMILES: c1ccc(N(c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc(N(c3ccccc3)c3cccc4ccccc34)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccccc2)c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
• InChI: InChI=1S/C62H43N3.C54H39N3/c1-4-21-51(22-5-1)63(54-37-35-44-17-10-11-19-48(44)39-54)55-40-50(41-56(43-55)64(52-23-6-2-7-24-52)60-30-16-20-47-18-12-13-27-57(47)60)46-33-31-45(32-34-46)49-36-38-62-59(42-49)58-28-14-15-29-61(58)65(62)53-25-8-3-9-26-53;1-6-21-44(22-7-1)55(45-23-8-2-9-24-45)49-36-43(37-50(39-49)56(46-25-10-3-11-26-46)47-27-12-4-13-28-47)41-20-18-19-40(35-41)42-33-34-54-52(38-42)51-31-16-17-32-53(51)57(54)48-29-14-5-15-30-48/h1-43H;1-39H
• InChIKey: ZDGGIDTUCJEYNX-UHFFFAOYSA-N
• XLogP: 32.42
• TPSA: 22.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1559.97
LogP ≤ 5	32.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?

The IUPAC name of 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine (CID 162088224) is 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine.

What is the SMILES notation for 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?

The canonical SMILES for 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine is c1ccc(N(c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc(N(c3ccccc3)c3cccc4ccccc34)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccccc2)c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.

What is the InChIKey of 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?

The InChIKey is ZDGGIDTUCJEYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N3.C54H39N3/c1-4-21-51(22-5-1)63(54-37-35-44-17-10-11-19-48(44)39-54)55-40-50(41-56(43-55)64(52-23-6-2-7-24-52)60-30-16-20-47-18-12-13-27-57(47)60)46-33-31-45(32-34-46)49-36-38-62-59(42-49)58-28-14-15-29-61(58)65(62)53-25-8-3-9-26-53;1-6-21-44(22-7-1)55(45-23-8-2-9-24-45)49-36-43(37-50(39-49)56(46-25-10-3-11-26-46)47-27-12-4-13-28-47)41-20-18-19-40(35-41)42-33-34-54-52(38-42)51-31-16-17-32-53(51)57(54)48-29-14-5-15-30-48/h1-43H;1-39H.

What are the key properties of 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?

3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine has a molecular weight of 1559.97 g/mol, XLogP of 32.42, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 162088224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).