3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C72H52N2 — CID 163828573

About 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 163828573) has the molecular formula C72H52N2 and a molecular weight of 945.22 g/mol. Its IUPAC name is 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• PubChem CID: 163828573
• Molecular Formula: C72H52N2
• Molecular Weight: 945.22 g/mol
• Exact Mass: 944.41
• IUPAC Name: 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc2C2(C)C=CC=CC12
• InChI: InChI=1S/C72H52N2/c1-71(2)63-45-51(32-39-62(63)72(3)42-16-15-27-68(71)72)50-34-41-67-61(44-50)60-43-49(46-28-35-52(36-29-46)73-64-25-13-11-19-54(64)55-20-12-14-26-65(55)73)33-40-66(60)74(67)53-37-30-48(31-38-53)70-58-23-9-7-21-56(58)69(47-17-5-4-6-18-47)57-22-8-10-24-59(57)70/h4-45,68H,1-3H3
• InChIKey: OBRZJGMPFYELFR-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.22
LogP ≤ 5	19.15
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-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The IUPAC name of 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 163828573) is 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

What is the SMILES notation for 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The canonical SMILES for 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is CC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc2C2(C)C=CC=CC12.

What is the InChIKey of 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The InChIKey is OBRZJGMPFYELFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N2/c1-71(2)63-45-51(32-39-62(63)72(3)42-16-15-27-68(71)72)50-34-41-67-61(44-50)60-43-49(46-28-35-52(36-29-46)73-64-25-13-11-19-54(64)55-20-12-14-26-65(55)73)33-40-66(60)74(67)53-37-30-48(31-38-53)70-58-23-9-7-21-56(58)69(47-17-5-4-6-18-47)57-22-8-10-24-59(57)70/h4-45,68H,1-3H3.

What are the key properties of 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 945.22 g/mol, XLogP of 19.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 163828573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).