6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole

C42H28F3N3O — CID 157349376

IUPAC6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C(F)(F)F)c(-c3cccc(Oc4cc(-c5ccccc5)ccn4)c3)cc1n2-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C42H28F3N3O/c1-27-15-16-38-35(21-27)36-25-37(42(43,44)45)34(26-39(36)48(38)40-23-30(17-19-46-40)28-9-4-2-5-10-28)32-13-8-14-33(22-32)49-41-24-31(18-20-47-41)29-11-6-3-7-12-29/h2-26H,1H3
InChIKeyWFYQCNISYQQKEX-UHFFFAOYSA-N
MW647.70 g/mol
LogP11.69
Rot. Bonds6

About 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole

6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole (PubChem CID 157349376) has the molecular formula C42H28F3N3O and a molecular weight of 647.70 g/mol. Its IUPAC name is 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole
PubChem CID157349376
Molecular FormulaC42H28F3N3O
Molecular Weight647.70 g/mol
Exact Mass647.22
IUPAC Name6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C(F)(F)F)c(-c3cccc(Oc4cc(-c5ccccc5)ccn4)c3)cc1n2-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C42H28F3N3O/c1-27-15-16-38-35(21-27)36-25-37(42(43,44)45)34(26-39(36)48(38)40-23-30(17-19-46-40)28-9-4-2-5-10-28)32-13-8-14-33(22-32)49-41-24-31(18-20-47-41)29-11-6-3-7-12-29/h2-26H,1H3
InChIKeyWFYQCNISYQQKEX-UHFFFAOYSA-N
XLogP11.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.70
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Ethanediamine, N,N-diethyl-N'-(5,6-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-, hemihydrate
CID 3068871
6-[4-(4-methylpiperazin-1-yl)phenyl]-4-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-9H-pyrido[2,3-b]indole
CID 72194677
6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenoxyphenyl)-9H-pyrido[2,3-b]indole
CID 90013773
1,3-Propanediamine, N'-(5,11-dimethyl-9-(phenylmethoxy)-6H-pyrido(4,3-b)carbazol-1-yl)-N,N-diethyl-
CID 153376
1,3-Propanediamine, N-(5-methyl-9-(phenylmethoxy)-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 153593
5-[1-(4-Methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]isoquinoline
CID 44529937
3-[2-[[3-(4-Fluorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole
CID 90656266
4-(4,4-Difluoropiperidin-1-yl)-1-[(3-methoxyphenyl)methyl]pyrrolo[3,2-c]quinoline
CID 168287945
Quinoline, 4-[3-[(1-methyl-1H-indol-7-yl)methoxy]phenyl]-3-(phenylmethyl)-8-(trifluoromethyl)-
CID 45270660
1,3-Propanediamine, N,N-diethyl-N'-(5-methyl-9-(phenylmethoxy)-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 153375
9-methoxy-2,5-dimethyl-N-phenyl-6H-pyrido[4,3-b]carbazol-2-ium-1-amine
CID 44272693
1,2-Ethanediamine, N,N-dimethyl-N'-(5-methyl-9-(phenylmethoxy)-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 153590

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole?
The IUPAC name of 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole (CID 157349376) is 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole?
The canonical SMILES for 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole is Cc1ccc2c(c1)c1cc(C(F)(F)F)c(-c3cccc(Oc4cc(-c5ccccc5)ccn4)c3)cc1n2-c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole?
The InChIKey is WFYQCNISYQQKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28F3N3O/c1-27-15-16-38-35(21-27)36-25-37(42(43,44)45)34(26-39(36)48(38)40-23-30(17-19-46-40)28-9-4-2-5-10-28)32-13-8-14-33(22-32)49-41-24-31(18-20-47-41)29-11-6-3-7-12-29/h2-26H,1H3.
What are the key properties of 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole?
6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole has a molecular weight of 647.70 g/mol, XLogP of 11.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 157349376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).