9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole

C74H52N2 — CID 59220162

About 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole

9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole (PubChem CID 59220162) has the molecular formula C74H52N2 and a molecular weight of 969.24 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
• PubChem CID: 59220162
• Molecular Formula: C74H52N2
• Molecular Weight: 969.24 g/mol
• Exact Mass: 968.41
• IUPAC Name: 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccc(-n6c7ccccc7c7ccccc76)cc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc(-n6c7ccccc7c7ccccc76)cc45)c3)cc21
• InChI: InChI=1S/C74H52N2/c1-73(2)63-26-11-5-20-51(63)53-36-32-46(41-65(53)73)45-18-17-19-47(40-45)71-59-38-34-50(76-69-30-15-9-24-57(69)58-25-10-16-31-70(58)76)44-62(59)72(48-33-37-54-52-21-6-12-27-64(52)74(3,4)66(54)42-48)60-39-35-49(43-61(60)71)75-67-28-13-7-22-55(67)56-23-8-14-29-68(56)75/h5-44H,1-4H3
• InChIKey: YDANICRQSHLRSA-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.24
LogP ≤ 5	19.80
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 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole?

The IUPAC name of 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole (CID 59220162) is 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole.

What is the SMILES notation for 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole?

The canonical SMILES for 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccc(-n6c7ccccc7c7ccccc76)cc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc(-n6c7ccccc7c7ccccc76)cc45)c3)cc21.

What is the InChIKey of 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole?

The InChIKey is YDANICRQSHLRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2/c1-73(2)63-26-11-5-20-51(63)53-36-32-46(41-65(53)73)45-18-17-19-47(40-45)71-59-38-34-50(76-69-30-15-9-24-57(69)58-25-10-16-31-70(58)76)44-62(59)72(48-33-37-54-52-21-6-12-27-64(52)74(3,4)66(54)42-48)60-39-35-49(43-61(60)71)75-67-28-13-7-22-55(67)56-23-8-14-29-68(56)75/h5-44H,1-4H3.

What are the key properties of 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole?

9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole has a molecular weight of 969.24 g/mol, XLogP of 19.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole is sourced from PubChem (CID 59220162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).