N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine

C70H51N3 — CID 163564194

About N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine

N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine (PubChem CID 163564194) has the molecular formula C70H51N3 and a molecular weight of 934.20 g/mol. Its IUPAC name is N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine.

Molecular Properties

• Compound Name: N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
• PubChem CID: 163564194
• Molecular Formula: C70H51N3
• Molecular Weight: 934.20 g/mol
• Exact Mass: 933.41
• IUPAC Name: N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
• SMILES: C1=CCC(c2ccc(-c3ccc4c(c3)c3cc(N(c5ccc6c(c5)c5cc(C7=CCC(c8ccccc8)C=C7)ccc5n6-c5ccccc5)c5cccc6ccccc56)ccc3n4-c3ccccc3)cc2)C=C1
• InChI: InChI=1S/C70H51N3/c1-5-16-48(17-6-1)50-28-32-52(33-29-50)55-36-40-67-62(44-55)64-46-59(38-42-69(64)72(67)57-22-9-3-10-23-57)71(66-27-15-21-54-20-13-14-26-61(54)66)60-39-43-70-65(47-60)63-45-56(37-41-68(63)73(70)58-24-11-4-12-25-58)53-34-30-51(31-35-53)49-18-7-2-8-19-49/h1-18,20-28,30-47,49-50H,19,29H2
• InChIKey: FTUJVAFWDXFHRB-UHFFFAOYSA-N
• XLogP: 18.90
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.20
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine?

The IUPAC name of N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine (CID 163564194) is N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine.

What is the SMILES notation for N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine?

The canonical SMILES for N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine is C1=CCC(c2ccc(-c3ccc4c(c3)c3cc(N(c5ccc6c(c5)c5cc(C7=CCC(c8ccccc8)C=C7)ccc5n6-c5ccccc5)c5cccc6ccccc56)ccc3n4-c3ccccc3)cc2)C=C1.

What is the InChIKey of N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine?

The InChIKey is FTUJVAFWDXFHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H51N3/c1-5-16-48(17-6-1)50-28-32-52(33-29-50)55-36-40-67-62(44-55)64-46-59(38-42-69(64)72(67)57-22-9-3-10-23-57)71(66-27-15-21-54-20-13-14-26-61(54)66)60-39-43-70-65(47-60)63-45-56(37-41-68(63)73(70)58-24-11-4-12-25-58)53-34-30-51(31-35-53)49-18-7-2-8-19-49/h1-18,20-28,30-47,49-50H,19,29H2.

What are the key properties of N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine?

N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine has a molecular weight of 934.20 g/mol, XLogP of 18.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine is sourced from PubChem (CID 163564194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).