2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine

C50H36N6 — CID 144837100

About 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine

2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine (PubChem CID 144837100) has the molecular formula C50H36N6 and a molecular weight of 720.88 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine.

Molecular Properties

• Compound Name: 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine
• PubChem CID: 144837100
• Molecular Formula: C50H36N6
• Molecular Weight: 720.88 g/mol
• Exact Mass: 720.30
• IUPAC Name: 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine
• SMILES: C/C=C\c1c(N)c2cc(-c3ccccc3-c3ccccn3)ccc2n1-c1cccc(-n2c3ccc(-c4ccccc4-c4ccccn4)cc3c3ncccc32)c1
• InChI: InChI=1S/C50H36N6/c1-2-13-47-49(51)41-30-33(37-16-3-5-18-39(37)43-20-7-9-27-52-43)23-25-45(41)55(47)35-14-11-15-36(32-35)56-46-26-24-34(31-42(46)50-48(56)22-12-29-54-50)38-17-4-6-19-40(38)44-21-8-10-28-53-44/h2-32H,51H2,1H3/b13-2-
• InChIKey: UMJCKYDTFWXWQJ-SILLCRNTSA-N
• XLogP: 12.20
• TPSA: 74.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.88
LogP ≤ 5	12.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine?

The IUPAC name of 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine (CID 144837100) is 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine.

What is the SMILES notation for 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine?

The canonical SMILES for 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine is C/C=C\c1c(N)c2cc(-c3ccccc3-c3ccccn3)ccc2n1-c1cccc(-n2c3ccc(-c4ccccc4-c4ccccn4)cc3c3ncccc32)c1.

What is the InChIKey of 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine?

The InChIKey is UMJCKYDTFWXWQJ-SILLCRNTSA-N. The full InChI is InChI=1S/C50H36N6/c1-2-13-47-49(51)41-30-33(37-16-3-5-18-39(37)43-20-7-9-27-52-43)23-25-45(41)55(47)35-14-11-15-36(32-35)56-46-26-24-34(31-42(46)50-48(56)22-12-29-54-50)38-17-4-6-19-40(38)44-21-8-10-28-53-44/h2-32H,51H2,1H3/b13-2-.

What are the key properties of 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine?

2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine has a molecular weight of 720.88 g/mol, XLogP of 12.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine is sourced from PubChem (CID 144837100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).