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

C78H52F3N3 — CID 89244868

IUPAC3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
SMILESCc1ccc(-n2c3ccc(C)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C(F)(F)F)ccc6n7-c6ccc(C)cc6)ccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C78H52F3N3/c1-47-17-29-57(30-18-47)82-70-35-21-49(3)41-64(70)65-42-52(24-36-71(65)82)53-25-37-72-66(43-53)67-44-54(55-27-39-74-68(45-55)69-46-56(78(79,80)81)28-40-75(69)83(74)58-31-19-48(2)20-32-58)26-38-73(67)84(72)59-33-22-51(23-34-59)77-62-15-9-7-13-60(62)76(50-11-5-4-6-12-50)61-14-8-10-16-63(61)77/h4-46H,1-3H3
InChIKeyMNTCWSTXYXVDLO-UHFFFAOYSA-N
MW1088.29 g/mol
LogP21.90
Rot. Bonds7

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

3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 89244868) has the molecular formula C78H52F3N3 and a molecular weight of 1088.29 g/mol. Its IUPAC name is 3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
PubChem CID89244868
Molecular FormulaC78H52F3N3
Molecular Weight1088.29 g/mol
Exact Mass1087.41
IUPAC Name3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
SMILESCc1ccc(-n2c3ccc(C)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C(F)(F)F)ccc6n7-c6ccc(C)cc6)ccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C78H52F3N3/c1-47-17-29-57(30-18-47)82-70-35-21-49(3)41-64(70)65-42-52(24-36-71(65)82)53-25-37-72-66(43-53)67-44-54(55-27-39-74-68(45-55)69-46-56(78(79,80)81)28-40-75(69)83(74)58-31-19-48(2)20-32-58)26-38-73(67)84(72)59-33-22-51(23-34-59)77-62-15-9-7-13-60(62)76(50-11-5-4-6-12-50)61-14-8-10-16-63(61)77/h4-46H,1-3H3
InChIKeyMNTCWSTXYXVDLO-UHFFFAOYSA-N
XLogP21.90
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001088.29
LogP ≤ 521.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole (CID 89244868) is 3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole is Cc1ccc(-n2c3ccc(C)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C(F)(F)F)ccc6n7-c6ccc(C)cc6)ccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)cc1.
What is the InChIKey of 3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is MNTCWSTXYXVDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52F3N3/c1-47-17-29-57(30-18-47)82-70-35-21-49(3)41-64(70)65-42-52(24-36-71(65)82)53-25-37-72-66(43-53)67-44-54(55-27-39-74-68(45-55)69-46-56(78(79,80)81)28-40-75(69)83(74)58-31-19-48(2)20-32-58)26-38-73(67)84(72)59-33-22-51(23-34-59)77-62-15-9-7-13-60(62)76(50-11-5-4-6-12-50)61-14-8-10-16-63(61)77/h4-46H,1-3H3.
What are the key properties of 3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?
3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 1088.29 g/mol, XLogP of 21.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 89244868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).