3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C77H52N2 — CID 88971302

About 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 88971302) has the molecular formula C77H52N2 and a molecular weight of 1005.28 g/mol. Its IUPAC name is 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• PubChem CID: 88971302
• Molecular Formula: C77H52N2
• Molecular Weight: 1005.28 g/mol
• Exact Mass: 1004.41
• IUPAC Name: 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• SMILES: Cc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(-n5c6ccccc6c6ccccc65)c4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc(C2c3ccccc3-c3ccccc32)c1
• InChI: InChI=1S/C77H52N2/c1-48-40-54(44-56(42-48)77-63-24-8-6-20-59(63)60-21-7-9-25-64(60)77)52-34-38-73-69(46-52)70-47-53(55-41-49(2)43-58(45-55)79-71-30-16-14-22-61(71)62-23-15-17-31-72(62)79)35-39-74(70)78(73)57-36-32-51(33-37-57)76-67-28-12-10-26-65(67)75(50-18-4-3-5-19-50)66-27-11-13-29-68(66)76/h3-47,77H,1-2H3
• InChIKey: SYSJNUPQXPVXEZ-UHFFFAOYSA-N
• XLogP: 20.63
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.28
LogP ≤ 5	20.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The IUPAC name of 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 88971302) is 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

What is the SMILES notation for 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The canonical SMILES for 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is Cc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(-n5c6ccccc6c6ccccc65)c4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc(C2c3ccccc3-c3ccccc32)c1.

What is the InChIKey of 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The InChIKey is SYSJNUPQXPVXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H52N2/c1-48-40-54(44-56(42-48)77-63-24-8-6-20-59(63)60-21-7-9-25-64(60)77)52-34-38-73-69(46-52)70-47-53(55-41-49(2)43-58(45-55)79-71-30-16-14-22-61(71)62-23-15-17-31-72(62)79)35-39-74(70)78(73)57-36-32-51(33-37-57)76-67-28-12-10-26-65(67)75(50-18-4-3-5-19-50)66-27-11-13-29-68(66)76/h3-47,77H,1-2H3.

What are the key properties of 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1005.28 g/mol, XLogP of 20.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 88971302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).