6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine

C68H53N5 — CID 155356487

About 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine

6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine (PubChem CID 155356487) has the molecular formula C68H53N5 and a molecular weight of 940.21 g/mol. Its IUPAC name is 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine
• PubChem CID: 155356487
• Molecular Formula: C68H53N5
• Molecular Weight: 940.21 g/mol
• Exact Mass: 939.43
• IUPAC Name: 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine
• SMILES: C1=CC(N(c2ccc(-c3ccc(-c4ccc(N(C5=CC=C(c6ccccc6)CC5)c5ccc(-c6ccccc6)nc5)cc4)n3-c3ccccc3)cc2)c2ccc(-c3ccccc3)nc2)CC=C1c1ccccc1
• InChI: InChI=1S/C68H53N5/c1-6-16-50(17-7-1)52-26-34-59(35-27-52)71(63-42-44-65(69-48-63)54-20-10-3-11-21-54)61-38-30-56(31-39-61)67-46-47-68(73(67)58-24-14-5-15-25-58)57-32-40-62(41-33-57)72(60-36-28-53(29-37-60)51-18-8-2-9-19-51)64-43-45-66(70-49-64)55-22-12-4-13-23-55/h1-28,30-34,36,38-49,59H,29,35,37H2
• InChIKey: RTWRZQCSHPSZFR-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.21
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine?

The IUPAC name of 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine (CID 155356487) is 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine.

What is the SMILES notation for 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine?

The canonical SMILES for 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine is C1=CC(N(c2ccc(-c3ccc(-c4ccc(N(C5=CC=C(c6ccccc6)CC5)c5ccc(-c6ccccc6)nc5)cc4)n3-c3ccccc3)cc2)c2ccc(-c3ccccc3)nc2)CC=C1c1ccccc1.

What is the InChIKey of 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine?

The InChIKey is RTWRZQCSHPSZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H53N5/c1-6-16-50(17-7-1)52-26-34-59(35-27-52)71(63-42-44-65(69-48-63)54-20-10-3-11-21-54)61-38-30-56(31-39-61)67-46-47-68(73(67)58-24-14-5-15-25-58)57-32-40-62(41-33-57)72(60-36-28-53(29-37-60)51-18-8-2-9-19-51)64-43-45-66(70-49-64)55-22-12-4-13-23-55/h1-28,30-34,36,38-49,59H,29,35,37H2.

What are the key properties of 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine?

6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine has a molecular weight of 940.21 g/mol, XLogP of 17.38, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine is sourced from PubChem (CID 155356487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).