2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine

C72H51N3 — CID 164756522

About 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine

2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine (PubChem CID 164756522) has the molecular formula C72H51N3 and a molecular weight of 958.22 g/mol. Its IUPAC name is 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine.

Molecular Properties

• Compound Name: 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine
• PubChem CID: 164756522
• Molecular Formula: C72H51N3
• Molecular Weight: 958.22 g/mol
• Exact Mass: 957.41
• IUPAC Name: 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine
• SMILES: C1=C(c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)N(c2ccccc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2N3c2ccccc2)C=C(c2ccccc2)CC1c1ccccc1
• InChI: InChI=1S/C72H51N3/c1-7-21-50(22-8-1)56-41-57(51-23-9-2-10-24-51)44-60(43-56)54-35-38-68-66(47-54)65-33-19-20-34-67(65)75(68)64-37-40-70-72(49-64)74(63-31-17-6-18-32-63)71-48-55(36-39-69(71)73(70)62-29-15-5-16-30-62)61-45-58(52-25-11-3-12-26-52)42-59(46-61)53-27-13-4-14-28-53/h1-40,42-49,56H,41H2
• InChIKey: OZMBFICTFMRLGN-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.22
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine?

The IUPAC name of 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine (CID 164756522) is 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine.

What is the SMILES notation for 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine?

The canonical SMILES for 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine is C1=C(c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)N(c2ccccc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2N3c2ccccc2)C=C(c2ccccc2)CC1c1ccccc1.

What is the InChIKey of 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine?

The InChIKey is OZMBFICTFMRLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51N3/c1-7-21-50(22-8-1)56-41-57(51-23-9-2-10-24-51)44-60(43-56)54-35-38-68-66(47-54)65-33-19-20-34-67(65)75(68)64-37-40-70-72(49-64)74(63-31-17-6-18-32-63)71-48-55(36-39-69(71)73(70)62-29-15-5-16-30-62)61-45-58(52-25-11-3-12-26-52)42-59(46-61)53-27-13-4-14-28-53/h1-40,42-49,56H,41H2.

What are the key properties of 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine?

2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine has a molecular weight of 958.22 g/mol, XLogP of 19.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine is sourced from PubChem (CID 164756522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).