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

C76H48F3N3 — CID 88567767

IUPAC3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(F)(F)F)cc6)ccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C76H48F3N3/c1-47-23-33-55(34-24-47)80-68-21-11-9-15-58(68)64-43-50(27-39-70(64)80)52-29-41-72-66(45-52)67-46-53(51-28-40-71-65(44-51)59-16-10-12-22-69(59)81(71)57-37-31-54(32-38-57)76(77,78)79)30-42-73(67)82(72)56-35-25-49(26-36-56)75-62-19-7-5-17-60(62)74(48-13-3-2-4-14-48)61-18-6-8-20-63(61)75/h2-46H,1H3
InChIKeyTZMDWZSOGQJTJU-UHFFFAOYSA-N
MW1060.24 g/mol
LogP21.28
Rot. Bonds7

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

3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole (PubChem CID 88567767) has the molecular formula C76H48F3N3 and a molecular weight of 1060.24 g/mol. Its IUPAC name is 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
PubChem CID88567767
Molecular FormulaC76H48F3N3
Molecular Weight1060.24 g/mol
Exact Mass1059.38
IUPAC Name3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(F)(F)F)cc6)ccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C76H48F3N3/c1-47-23-33-55(34-24-47)80-68-21-11-9-15-58(68)64-43-50(27-39-70(64)80)52-29-41-72-66(45-52)67-46-53(51-28-40-71-65(44-51)59-16-10-12-22-69(59)81(71)57-37-31-54(32-38-57)76(77,78)79)30-42-73(67)82(72)56-35-25-49(26-36-56)75-62-19-7-5-17-60(62)74(48-13-3-2-4-14-48)61-18-6-8-20-63(61)75/h2-46H,1H3
InChIKeyTZMDWZSOGQJTJU-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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Related Compounds

Dextranase
CID 167312536
4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
9-[[4-(1,2,3,4-Tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole
CID 71578978
Tris(4-carbazoyl-9-ylphenyl)amine
CID 9962045
2,2'-Di(9H-carbazol-9-yl)biphenyl
CID 12046749
9,9'-Diethyl-9H,9'H-3,3'-bicarbazole
CID 12218945
2,7-di(9H-carbazol-9-yl)-9,9'-spirobi[fluorene]
CID 21032473
4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
N-((1,1'-biphenyl)-4-yl)-9,9-dimethyl-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-fluoren-2-amine
CID 57746495
2,2'-Bis(4-(carbazol-9-yl)phenyl)-biphenyl
CID 57935312
4,4'-Bis(3,6-di-tert-butyl-9h-carbazol-9-yl)-1,1'-biphenyl
CID 59399845

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole (CID 88567767) is 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(F)(F)F)cc6)ccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)cc1.
What is the InChIKey of 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is TZMDWZSOGQJTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48F3N3/c1-47-23-33-55(34-24-47)80-68-21-11-9-15-58(68)64-43-50(27-39-70(64)80)52-29-41-72-66(45-52)67-46-53(51-28-40-71-65(44-51)59-16-10-12-22-69(59)81(71)57-37-31-54(32-38-57)76(77,78)79)30-42-73(67)82(72)56-35-25-49(26-36-56)75-62-19-7-5-17-60(62)74(48-13-3-2-4-14-48)61-18-6-8-20-63(61)75/h2-46H,1H3.
What are the key properties of 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(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-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 88567767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).