3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole

C76H48F3N3 — CID 88567780

IUPAC3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
SMILESCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5C(F)(F)F)ccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21
InChIInChI=1S/C76H48F3N3/c1-47-17-5-13-27-66(47)81-67-28-14-10-20-55(67)61-43-50(35-41-71(61)81)52-33-39-69-63(45-52)64-46-53(51-36-42-72-62(44-51)56-21-11-15-29-68(56)82(72)73-30-16-12-26-65(73)76(77,78)79)34-40-70(64)80(69)54-37-31-49(32-38-54)75-59-24-8-6-22-57(59)74(48-18-3-2-4-19-48)58-23-7-9-25-60(58)75/h2-46H,1H3
InChIKeyMPAIBTBZOOQVGT-UHFFFAOYSA-N
MW1060.24 g/mol
LogP21.28
Rot. Bonds7

About 3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole

3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole (PubChem CID 88567780) has the molecular formula C76H48F3N3 and a molecular weight of 1060.24 g/mol. Its IUPAC name is 3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
PubChem CID88567780
Molecular FormulaC76H48F3N3
Molecular Weight1060.24 g/mol
Exact Mass1059.38
IUPAC Name3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
SMILESCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5C(F)(F)F)ccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21
InChIInChI=1S/C76H48F3N3/c1-47-17-5-13-27-66(47)81-67-28-14-10-20-55(67)61-43-50(35-41-71(61)81)52-33-39-69-63(45-52)64-46-53(51-36-42-72-62(44-51)56-21-11-15-29-68(56)82(72)73-30-16-12-26-65(73)76(77,78)79)34-40-70(64)80(69)54-37-31-49(32-38-54)75-59-24-8-6-22-57(59)74(48-18-3-2-4-19-48)58-23-7-9-25-60(58)75/h2-46H,1H3
InChIKeyMPAIBTBZOOQVGT-UHFFFAOYSA-N
XLogP21.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.24
LogP ≤ 521.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole (CID 88567780) is 3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole is Cc1ccccc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5C(F)(F)F)ccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.
What is the InChIKey of 3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is MPAIBTBZOOQVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48F3N3/c1-47-17-5-13-27-66(47)81-67-28-14-10-20-55(67)61-43-50(35-41-71(61)81)52-33-39-69-63(45-52)64-46-53(51-36-42-72-62(44-51)56-21-11-15-29-68(56)82(72)73-30-16-12-26-65(73)76(77,78)79)34-40-70(64)80(69)54-37-31-49(32-38-54)75-59-24-8-6-22-57(59)74(48-18-3-2-4-19-48)58-23-7-9-25-60(58)75/h2-46H,1H3.
What are the key properties of 3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 1060.24 g/mol, XLogP of 21.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 88567780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).