(Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole

C54H45NS — CID 144644305

About (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole

(Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole (PubChem CID 144644305) has the molecular formula C54H45NS and a molecular weight of 740.03 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
• PubChem CID: 144644305
• Molecular Formula: C54H45NS
• Molecular Weight: 740.03 g/mol
• Exact Mass: 739.33
• IUPAC Name: (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
• SMILES: C/C=C\C.CC.c1ccc(-c2ccc(-c3cccc(-c4ccc5sc6c(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cccc6c5c4)c3)cc2)cc1
• InChI: InChI=1S/C48H31NS.C4H8.C2H6/c1-2-11-32(12-3-1)33-23-25-34(26-24-33)35-13-8-14-36(29-35)37-27-28-47-44(31-37)43-20-10-19-40(48(43)50-47)38-15-9-16-39(30-38)49-45-21-6-4-17-41(45)42-18-5-7-22-46(42)49;1-3-4-2;1-2/h1-31H;3-4H,1-2H3;1-2H3/b;4-3-
• InChIKey: DJOJJSSOLMPGCL-LWFKIUJUSA-N
• XLogP: 16.43
• TPSA: 4.93 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.03
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole?

The IUPAC name of (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole (CID 144644305) is (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole.

What is the SMILES notation for (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole?

The canonical SMILES for (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole is C/C=C\C.CC.c1ccc(-c2ccc(-c3cccc(-c4ccc5sc6c(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cccc6c5c4)c3)cc2)cc1.

What is the InChIKey of (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole?

The InChIKey is DJOJJSSOLMPGCL-LWFKIUJUSA-N. The full InChI is InChI=1S/C48H31NS.C4H8.C2H6/c1-2-11-32(12-3-1)33-23-25-34(26-24-33)35-13-8-14-36(29-35)37-27-28-47-44(31-37)43-20-10-19-40(48(43)50-47)38-15-9-16-39(30-38)49-45-21-6-4-17-41(45)42-18-5-7-22-46(42)49;1-3-4-2;1-2/h1-31H;3-4H,1-2H3;1-2H3/b;4-3-;.

What are the key properties of (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole?

(Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole has a molecular weight of 740.03 g/mol, XLogP of 16.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole is sourced from PubChem (CID 144644305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).