9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole

C76H56N2 — CID 59236371

About 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole

9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole (PubChem CID 59236371) has the molecular formula C76H56N2 and a molecular weight of 997.30 g/mol. Its IUPAC name is 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole
• PubChem CID: 59236371
• Molecular Formula: C76H56N2
• Molecular Weight: 997.30 g/mol
• Exact Mass: 996.44
• IUPAC Name: 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole
• SMILES: CC1(C)c2cc(-c3ccc(/C=C/c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(/C=C/c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2)cc1C3(C)C
• InChI: InChI=1S/C76H56N2/c1-75(2)67-45-55(53-33-27-49(28-34-53)23-25-51-31-41-73-65(43-51)61-19-11-13-21-71(61)77(73)57-15-7-5-8-16-57)37-39-59(67)63-48-70-64(47-69(63)75)60-40-38-56(46-68(60)76(70,3)4)54-35-29-50(30-36-54)24-26-52-32-42-74-66(44-52)62-20-12-14-22-72(62)78(74)58-17-9-6-10-18-58/h5-48H,1-4H3/b25-23+,26-24+
• InChIKey: VRJAGWLRLNDZCF-OGGGYYITSA-N
• XLogP: 20.17
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.30
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole?

The IUPAC name of 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole (CID 59236371) is 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole.

What is the SMILES notation for 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole?

The canonical SMILES for 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole is CC1(C)c2cc(-c3ccc(/C=C/c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(/C=C/c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2)cc1C3(C)C.

What is the InChIKey of 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole?

The InChIKey is VRJAGWLRLNDZCF-OGGGYYITSA-N. The full InChI is InChI=1S/C76H56N2/c1-75(2)67-45-55(53-33-27-49(28-34-53)23-25-51-31-41-73-65(43-51)61-19-11-13-21-71(61)77(73)57-15-7-5-8-16-57)37-39-59(67)63-48-70-64(47-69(63)75)60-40-38-56(46-68(60)76(70,3)4)54-35-29-50(30-36-54)24-26-52-32-42-74-66(44-52)62-20-12-14-22-72(62)78(74)58-17-9-6-10-18-58/h5-48H,1-4H3/b25-23+,26-24+.

What are the key properties of 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole?

9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole has a molecular weight of 997.30 g/mol, XLogP of 20.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole is sourced from PubChem (CID 59236371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).