(Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole

C50H38N4 — CID 144591937

About (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole

(Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole (PubChem CID 144591937) has the molecular formula C50H38N4 and a molecular weight of 694.88 g/mol. Its IUPAC name is (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole.

Molecular Properties

• Compound Name: (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole
• PubChem CID: 144591937
• Molecular Formula: C50H38N4
• Molecular Weight: 694.88 g/mol
• Exact Mass: 694.31
• IUPAC Name: (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole
• SMILES: C/C=C\C.c1ccc(-n2ccc3c4c5ccccc5n(-c5ccc(-n6c7ccccc7c7c8ccn(-c9ccccc9)c8ccc76)cc5)c4ccc32)cc1
• InChI: InChI=1S/C46H30N4.C4H8/c1-3-11-31(12-4-1)47-29-27-37-39(47)23-25-43-45(37)35-15-7-9-17-41(35)49(43)33-19-21-34(22-20-33)50-42-18-10-8-16-36(42)46-38-28-30-48(32-13-5-2-6-14-32)40(38)24-26-44(46)50;1-3-4-2/h1-30H;3-4H,1-2H3/b;4-3-
• InChIKey: XLVWQWDYQYFZCO-QGAMPUOQSA-N
• XLogP: 13.35
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.88
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole?

The IUPAC name of (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole (CID 144591937) is (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole.

What is the SMILES notation for (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole?

The canonical SMILES for (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole is C/C=C\C.c1ccc(-n2ccc3c4c5ccccc5n(-c5ccc(-n6c7ccccc7c7c8ccn(-c9ccccc9)c8ccc76)cc5)c4ccc32)cc1.

What is the InChIKey of (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole?

The InChIKey is XLVWQWDYQYFZCO-QGAMPUOQSA-N. The full InChI is InChI=1S/C46H30N4.C4H8/c1-3-11-31(12-4-1)47-29-27-37-39(47)23-25-43-45(37)35-15-7-9-17-41(35)49(43)33-19-21-34(22-20-33)50-42-18-10-8-16-36(42)46-38-28-30-48(32-13-5-2-6-14-32)40(38)24-26-44(46)50;1-3-4-2/h1-30H;3-4H,1-2H3/b;4-3-.

What are the key properties of (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole?

(Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole has a molecular weight of 694.88 g/mol, XLogP of 13.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-but-2-ene;3-phenyl-6-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole is sourced from PubChem (CID 144591937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).