5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole

C47H37N3 — CID 70912416

About 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole

5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole (PubChem CID 70912416) has the molecular formula C47H37N3 and a molecular weight of 643.83 g/mol. Its IUPAC name is 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole
• PubChem CID: 70912416
• Molecular Formula: C47H37N3
• Molecular Weight: 643.83 g/mol
• Exact Mass: 643.30
• IUPAC Name: 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole
• SMILES: C1=CCC(n2c3ccccc3c3c4c(ccc32)c2ccccc2n4-c2cccc(C3C=C(C4=CCCC=C4)C=C(c4ccccc4)C3)n2)C=C1
• InChI: InChI=1S/C47H37N3/c1-4-15-32(16-5-1)34-29-35(33-17-6-2-7-18-33)31-36(30-34)41-23-14-26-45(48-41)50-42-24-12-10-21-38(42)39-27-28-44-46(47(39)50)40-22-11-13-25-43(40)49(44)37-19-8-3-9-20-37/h1,3-6,8-19,21-29,31,36-37H,2,7,20,30H2
• InChIKey: IJZRWESWUBDJFA-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.83
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole?

The IUPAC name of 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole (CID 70912416) is 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole is C1=CCC(n2c3ccccc3c3c4c(ccc32)c2ccccc2n4-c2cccc(C3C=C(C4=CCCC=C4)C=C(c4ccccc4)C3)n2)C=C1.

What is the InChIKey of 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole?

The InChIKey is IJZRWESWUBDJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N3/c1-4-15-32(16-5-1)34-29-35(33-17-6-2-7-18-33)31-36(30-34)41-23-14-26-45(48-41)50-42-24-12-10-21-38(42)39-27-28-44-46(47(39)50)40-22-11-13-25-43(40)49(44)37-19-8-3-9-20-37/h1,3-6,8-19,21-29,31,36-37H,2,7,20,30H2.

What are the key properties of 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole?

5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole has a molecular weight of 643.83 g/mol, XLogP of 12.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 70912416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).