4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine

C70H46N4 — CID 89212986

About 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 89212986) has the molecular formula C70H46N4 and a molecular weight of 943.17 g/mol. Its IUPAC name is 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 89212986
• Molecular Formula: C70H46N4
• Molecular Weight: 943.17 g/mol
• Exact Mass: 942.37
• IUPAC Name: 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)c7ccccc67)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C70H46N4/c1-2-16-51(17-3-1)73-65-27-13-8-24-61(65)62-43-36-50(46-70(62)73)49-32-30-47(31-33-49)48-34-37-52(38-35-48)71(53-39-41-54(42-40-53)72-63-25-11-6-20-55(63)56-21-7-12-26-64(56)72)68-44-45-69(60-19-5-4-18-59(60)68)74-66-28-14-9-22-57(66)58-23-10-15-29-67(58)74/h1-46H
• InChIKey: JVJRDIKWGWTGBC-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.17
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine (CID 89212986) is 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)c7ccccc67)cc5)cc4)cc32)cc1.

What is the InChIKey of 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine?

The InChIKey is JVJRDIKWGWTGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N4/c1-2-16-51(17-3-1)73-65-27-13-8-24-61(65)62-43-36-50(46-70(62)73)49-32-30-47(31-33-49)48-34-37-52(38-35-48)71(53-39-41-54(42-40-53)72-63-25-11-6-20-55(63)56-21-7-12-26-64(56)72)68-44-45-69(60-19-5-4-18-59(60)68)74-66-28-14-9-22-57(66)58-23-10-15-29-67(58)74/h1-46H.

What are the key properties of 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine?

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 943.17 g/mol, XLogP of 18.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 89212986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).