9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole

C62H32F12N2 — CID 59357240

About 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole

9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 59357240) has the molecular formula C62H32F12N2 and a molecular weight of 1032.93 g/mol. Its IUPAC name is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

• Compound Name: 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
• PubChem CID: 59357240
• Molecular Formula: C62H32F12N2
• Molecular Weight: 1032.93 g/mol
• Exact Mass: 1032.24
• IUPAC Name: 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
• SMILES: FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3cccc4ccccc34)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3cccc4ccccc34)c2c1
• InChI: InChI=1S/C62H32F12N2/c63-59(64,65)35-15-23-53-47(27-35)48-28-36(60(66,67)68)16-24-54(48)75(53)39-20-22-46-51(31-39)57(43-13-5-9-33-7-1-3-11-41(33)43)45-21-19-40(32-52(45)58(46)44-14-6-10-34-8-2-4-12-42(34)44)76-55-25-17-37(61(69,70)71)29-49(55)50-30-38(62(72,73)74)18-26-56(50)76/h1-32H
• InChIKey: NMIHGAUHAFEYPW-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1032.93
LogP ≤ 5	19.90
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-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?

The IUPAC name of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (CID 59357240) is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.

What is the SMILES notation for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?

The canonical SMILES for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3cccc4ccccc34)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3cccc4ccccc34)c2c1.

What is the InChIKey of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?

The InChIKey is NMIHGAUHAFEYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H32F12N2/c63-59(64,65)35-15-23-53-47(27-35)48-28-36(60(66,67)68)16-24-54(48)75(53)39-20-22-46-51(31-39)57(43-13-5-9-33-7-1-3-11-41(33)43)45-21-19-40(32-52(45)58(46)44-14-6-10-34-8-2-4-12-42(34)44)76-55-25-17-37(61(69,70)71)29-49(55)50-30-38(62(72,73)74)18-26-56(50)76/h1-32H.

What are the key properties of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?

9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1032.93 g/mol, XLogP of 19.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 59357240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).