N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline

C32H27F3N2 — CID 159027804

IUPACN-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline
SMILESCC1CC(c2ccc3[nH]c4c(c3c2)C=CCC4)=CC=C1N(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C32H27F3N2/c1-21-19-22(23-15-17-29-26(20-23)25-11-5-7-13-28(25)36-29)16-18-30(21)37(24-9-3-2-4-10-24)31-14-8-6-12-27(31)32(33,34)35/h2-6,8-12,14-18,20-21,36H,7,13,19H2,1H3
InChIKeyJUMNPHUOYXJBRC-UHFFFAOYSA-N
MW496.58 g/mol
LogP9.29
Rot. Bonds4

About N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline

N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline (PubChem CID 159027804) has the molecular formula C32H27F3N2 and a molecular weight of 496.58 g/mol. Its IUPAC name is N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline
PubChem CID159027804
Molecular FormulaC32H27F3N2
Molecular Weight496.58 g/mol
Exact Mass496.21
IUPAC NameN-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline
SMILESCC1CC(c2ccc3[nH]c4c(c3c2)C=CCC4)=CC=C1N(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C32H27F3N2/c1-21-19-22(23-15-17-29-26(20-23)25-11-5-7-13-28(25)36-29)16-18-30(21)37(24-9-3-2-4-10-24)31-14-8-6-12-27(31)32(33,34)35/h2-6,8-12,14-18,20-21,36H,7,13,19H2,1H3
InChIKeyJUMNPHUOYXJBRC-UHFFFAOYSA-N
XLogP9.29
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 59.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline?
The IUPAC name of N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline (CID 159027804) is N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline is CC1CC(c2ccc3[nH]c4c(c3c2)C=CCC4)=CC=C1N(c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline?
The InChIKey is JUMNPHUOYXJBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F3N2/c1-21-19-22(23-15-17-29-26(20-23)25-11-5-7-13-28(25)36-29)16-18-30(21)37(24-9-3-2-4-10-24)31-14-8-6-12-27(31)32(33,34)35/h2-6,8-12,14-18,20-21,36H,7,13,19H2,1H3.
What are the key properties of N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline?
N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline has a molecular weight of 496.58 g/mol, XLogP of 9.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,9-dihydro-7H-carbazol-3-yl)-6-methylcyclohexa-1,3-dien-1-yl]-N-phenyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 159027804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).