9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole

C48H31F3N2 — CID 142867828

IUPAC9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
SMILESFc1c(-c2ccccc2)c(F)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(F)c1-c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1
InChIInChI=1S/C48H31F3N2/c49-46-43(30-12-2-1-3-13-30)47(50)45(32-24-28-34(29-25-32)53-41-20-10-6-16-37(41)38-17-7-11-21-42(38)53)48(51)44(46)31-22-26-33(27-23-31)52-39-18-8-4-14-35(39)36-15-5-9-19-40(36)52/h1-6,8-16,18-29H,7,17H2
InChIKeyFXAKGVXJVHCMMJ-UHFFFAOYSA-N
MW692.78 g/mol
LogP13.11
Rot. Bonds5

About 9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole

9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole (PubChem CID 142867828) has the molecular formula C48H31F3N2 and a molecular weight of 692.78 g/mol. Its IUPAC name is 9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
PubChem CID142867828
Molecular FormulaC48H31F3N2
Molecular Weight692.78 g/mol
Exact Mass692.24
IUPAC Name9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
SMILESFc1c(-c2ccccc2)c(F)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(F)c1-c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1
InChIInChI=1S/C48H31F3N2/c49-46-43(30-12-2-1-3-13-30)47(50)45(32-24-28-34(29-25-32)53-41-20-10-6-16-37(41)38-17-7-11-21-42(38)53)48(51)44(46)31-22-26-33(27-23-31)52-39-18-8-4-14-35(39)36-15-5-9-19-40(36)52/h1-6,8-16,18-29H,7,17H2
InChIKeyFXAKGVXJVHCMMJ-UHFFFAOYSA-N
XLogP13.11
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.78
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane
CID 147490956
9-[4-[[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 88928125
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole
CID 88530896

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole (CID 142867828) is 9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole is Fc1c(-c2ccccc2)c(F)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(F)c1-c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1.
What is the InChIKey of 9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole?
The InChIKey is FXAKGVXJVHCMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31F3N2/c49-46-43(30-12-2-1-3-13-30)47(50)45(32-24-28-34(29-25-32)53-41-20-10-6-16-37(41)38-17-7-11-21-42(38)53)48(51)44(46)31-22-26-33(27-23-31)52-39-18-8-4-14-35(39)36-15-5-9-19-40(36)52/h1-6,8-16,18-29H,7,17H2.
What are the key properties of 9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole?
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole has a molecular weight of 692.78 g/mol, XLogP of 13.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole is sourced from PubChem (CID 142867828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).