1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole

C52H34N4 — CID 90090982

About 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole

1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole (PubChem CID 90090982) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
• PubChem CID: 90090982
• Molecular Formula: C52H34N4
• Molecular Weight: 714.87 g/mol
• Exact Mass: 714.28
• IUPAC Name: 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)cc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)c2)cc1
• InChI: InChI=1S/C52H34N4/c1-4-14-35(15-5-1)38-32-41(55-47-22-12-10-20-43(47)45-26-24-36-28-30-53(49(36)51(45)55)39-16-6-2-7-17-39)34-42(33-38)56-48-23-13-11-21-44(48)46-27-25-37-29-31-54(50(37)52(46)56)40-18-8-3-9-19-40/h1-34H
• InChIKey: GORUNGHOINPDRH-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.87
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole?

The IUPAC name of 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole (CID 90090982) is 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole.

What is the SMILES notation for 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole?

The canonical SMILES for 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)cc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)c2)cc1.

What is the InChIKey of 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole?

The InChIKey is GORUNGHOINPDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-14-35(15-5-1)38-32-41(55-47-22-12-10-20-43(47)45-26-24-36-28-30-53(49(36)51(45)55)39-16-6-2-7-17-39)34-42(33-38)56-48-23-13-11-21-44(48)46-27-25-37-29-31-54(50(37)52(46)56)40-18-8-3-9-19-40/h1-34H.

What are the key properties of 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole?

1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole has a molecular weight of 714.87 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90090982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).