9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole

C58H36F3N — CID 88567746

IUPAC9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole
SMILESFC(F)(F)c1cccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)c1
InChIInChI=1S/C58H36F3N/c59-58(60,61)41-16-12-15-40(33-41)57-45-19-5-4-17-43(45)51-34-38(27-31-50(51)57)39-28-32-54-52(35-39)44-18-10-11-24-53(44)62(54)42-29-25-37(26-30-42)56-48-22-8-6-20-46(48)55(36-13-2-1-3-14-36)47-21-7-9-23-49(47)56/h1-35,57H
InChIKeyCNHWINCSYMMUJP-UHFFFAOYSA-N
MW803.93 g/mol
LogP16.27
Rot. Bonds5

About 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole

9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole (PubChem CID 88567746) has the molecular formula C58H36F3N and a molecular weight of 803.93 g/mol. Its IUPAC name is 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole.

Molecular Properties

Compound Name9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole
PubChem CID88567746
Molecular FormulaC58H36F3N
Molecular Weight803.93 g/mol
Exact Mass803.28
IUPAC Name9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole
SMILESFC(F)(F)c1cccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)c1
InChIInChI=1S/C58H36F3N/c59-58(60,61)41-16-12-15-40(33-41)57-45-19-5-4-17-43(45)51-34-38(27-31-50(51)57)39-28-32-54-52(35-39)44-18-10-11-24-53(44)62(54)42-29-25-37(26-30-42)56-48-22-8-6-20-46(48)55(36-13-2-1-3-14-36)47-21-7-9-23-49(47)56/h1-35,57H
InChIKeyCNHWINCSYMMUJP-UHFFFAOYSA-N
XLogP16.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.93
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole
CID 157164036
9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58163316
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
3-(3-carbazol-9-yl-5-methylphenyl)-6-[3-(9H-fluoren-9-yl)-5-methylphenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 88971302
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
9-(2-phenylphenyl)-3-[3-[9-(2-phenylphenyl)-9H-fluoren-3-yl]carbazol-9-yl]carbazole
CID 71232640
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole
CID 89368394

Frequently Asked Questions

What is the IUPAC name of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole?
The IUPAC name of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole (CID 88567746) is 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole.
What is the SMILES notation for 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole?
The canonical SMILES for 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole is FC(F)(F)c1cccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)c1.
What is the InChIKey of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole?
The InChIKey is CNHWINCSYMMUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36F3N/c59-58(60,61)41-16-12-15-40(33-41)57-45-19-5-4-17-43(45)51-34-38(27-31-50(51)57)39-28-32-54-52(35-39)44-18-10-11-24-53(44)62(54)42-29-25-37(26-30-42)56-48-22-8-6-20-46(48)55(36-13-2-1-3-14-36)47-21-7-9-23-49(47)56/h1-35,57H.
What are the key properties of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole?
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole has a molecular weight of 803.93 g/mol, XLogP of 16.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole is sourced from PubChem (CID 88567746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).