1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole

C40H26F6N2 — CID 158794342

IUPAC1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1cccc2c3ccccc3n(-c3cc(-c4ccccc4C(F)(F)F)c(C(F)(F)F)cc3-n3c4ccccc4c4cccc(C)c43)c12
InChIInChI=1S/C40H26F6N2/c1-23-11-9-16-28-26-14-4-7-19-33(26)47(37(23)28)35-21-30(25-13-3-6-18-31(25)39(41,42)43)32(40(44,45)46)22-36(35)48-34-20-8-5-15-27(34)29-17-10-12-24(2)38(29)48/h3-22H,1-2H3
InChIKeyPVTMXKZSNXVPRZ-UHFFFAOYSA-N
MW648.65 g/mol
LogP12.20
Rot. Bonds3

About 1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole

1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 158794342) has the molecular formula C40H26F6N2 and a molecular weight of 648.65 g/mol. Its IUPAC name is 1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID158794342
Molecular FormulaC40H26F6N2
Molecular Weight648.65 g/mol
Exact Mass648.20
IUPAC Name1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1cccc2c3ccccc3n(-c3cc(-c4ccccc4C(F)(F)F)c(C(F)(F)F)cc3-n3c4ccccc4c4cccc(C)c43)c12
InChIInChI=1S/C40H26F6N2/c1-23-11-9-16-28-26-14-4-7-19-33(26)47(37(23)28)35-21-30(25-13-3-6-18-31(25)39(41,42)43)32(40(44,45)46)22-36(35)48-34-20-8-5-15-27(34)29-17-10-12-24(2)38(29)48/h3-22H,1-2H3
InChIKeyPVTMXKZSNXVPRZ-UHFFFAOYSA-N
XLogP12.20
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.65
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 170274139
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
2,5-bis(1,8-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(1,8-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-1,8-dimethylcarbazole
CID 159209598
3-[2,5-bis(1-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 159791827
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
CID 159679728
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610974
12-[2-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 154960581
4,5-bis(2-tert-butylcarbazol-9-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 159441695
3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386806
5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 142502095

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole (CID 158794342) is 1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1cccc2c3ccccc3n(-c3cc(-c4ccccc4C(F)(F)F)c(C(F)(F)F)cc3-n3c4ccccc4c4cccc(C)c43)c12.
What is the InChIKey of 1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is PVTMXKZSNXVPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F6N2/c1-23-11-9-16-28-26-14-4-7-19-33(26)47(37(23)28)35-21-30(25-13-3-6-18-31(25)39(41,42)43)32(40(44,45)46)22-36(35)48-34-20-8-5-15-27(34)29-17-10-12-24(2)38(29)48/h3-22H,1-2H3.
What are the key properties of 1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 648.65 g/mol, XLogP of 12.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158794342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).