12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole

C38H25F3N2O — CID 146522550

IUPAC12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole
SMILESFC(F)(F)c1cccc(-c2cccc(OCn3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1
InChIInChI=1S/C38H25F3N2O/c39-38(40,41)27-12-8-10-25(22-27)26-11-9-15-29(23-26)44-24-42-33-18-6-5-17-32(33)36-35(42)21-20-31-30-16-4-7-19-34(30)43(37(31)36)28-13-2-1-3-14-28/h1-23H,24H2
InChIKeyRCNHASLEULVZOK-UHFFFAOYSA-N
MW582.63 g/mol
LogP10.61
Rot. Bonds5

About 12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole

12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole (PubChem CID 146522550) has the molecular formula C38H25F3N2O and a molecular weight of 582.63 g/mol. Its IUPAC name is 12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole
PubChem CID146522550
Molecular FormulaC38H25F3N2O
Molecular Weight582.63 g/mol
Exact Mass582.19
IUPAC Name12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole
SMILESFC(F)(F)c1cccc(-c2cccc(OCn3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1
InChIInChI=1S/C38H25F3N2O/c39-38(40,41)27-12-8-10-25(22-27)26-11-9-15-29(23-26)44-24-42-33-18-6-5-17-32(33)36-35(42)21-20-31-30-16-4-7-19-34(30)43(37(31)36)28-13-2-1-3-14-28/h1-23H,24H2
InChIKeyRCNHASLEULVZOK-UHFFFAOYSA-N
XLogP10.61
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.63
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[3-tert-butyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 139553137
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107982
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole (CID 146522550) is 12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole is FC(F)(F)c1cccc(-c2cccc(OCn3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1.
What is the InChIKey of 12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole?
The InChIKey is RCNHASLEULVZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25F3N2O/c39-38(40,41)27-12-8-10-25(22-27)26-11-9-15-29(23-26)44-24-42-33-18-6-5-17-32(33)36-35(42)21-20-31-30-16-4-7-19-34(30)43(37(31)36)28-13-2-1-3-14-28/h1-23H,24H2.
What are the key properties of 12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole?
12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole has a molecular weight of 582.63 g/mol, XLogP of 10.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 146522550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).