5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene

C64H44N6 — CID 144612501

About 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene

5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene (PubChem CID 144612501) has the molecular formula C64H44N6 and a molecular weight of 897.10 g/mol. Its IUPAC name is 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene.

Molecular Properties

• Compound Name: 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
• PubChem CID: 144612501
• Molecular Formula: C64H44N6
• Molecular Weight: 897.10 g/mol
• Exact Mass: 896.36
• IUPAC Name: 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
• SMILES: C=C.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cccc(-n3c4ccc(-c5ccccc5-c5ccccn5)cc4c4ncccc43)c2)nc1
• InChI: InChI=1S/C62H40N6.C2H4/c1-4-20-49(55-23-7-10-33-63-55)46(17-1)41-27-30-58-52(37-41)53-38-42(47-18-2-5-21-50(47)56-24-8-11-34-64-56)28-31-59(53)67(58)44-15-13-16-45(40-44)68-60-32-29-43(39-54(60)62-61(68)26-14-36-66-62)48-19-3-6-22-51(48)57-25-9-12-35-65-57;1-2/h1-40H;1-2H2
• InChIKey: FHUQNRMJSIRYCV-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.10
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene?

The IUPAC name of 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene (CID 144612501) is 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene.

What is the SMILES notation for 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene?

The canonical SMILES for 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene is C=C.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cccc(-n3c4ccc(-c5ccccc5-c5ccccn5)cc4c4ncccc43)c2)nc1.

What is the InChIKey of 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene?

The InChIKey is FHUQNRMJSIRYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6.C2H4/c1-4-20-49(55-23-7-10-33-63-55)46(17-1)41-27-30-58-52(37-41)53-38-42(47-18-2-5-21-50(47)56-24-8-11-34-64-56)28-31-59(53)67(58)44-15-13-16-45(40-44)68-60-32-29-43(39-54(60)62-61(68)26-14-36-66-62)48-19-3-6-22-51(48)57-25-9-12-35-65-57;1-2/h1-40H;1-2H2.

What are the key properties of 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene?

5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene has a molecular weight of 897.10 g/mol, XLogP of 16.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene is sourced from PubChem (CID 144612501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).