12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole

C45H28F3N5 — CID 90193708

IUPAC12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole
SMILESFC(F)(F)c1ccc(-n2nnc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C45H28F3N5/c46-45(47,48)31-21-25-34(26-22-31)53-43(30-11-3-1-4-12-30)42(49-50-53)29-19-23-33(24-20-29)51-39-18-10-8-16-37(39)41-40(51)28-27-36-35-15-7-9-17-38(35)52(44(36)41)32-13-5-2-6-14-32/h1-28H
InChIKeyUGWAZJMEUHZWOW-UHFFFAOYSA-N
MW695.75 g/mol
LogP11.81
Rot. Bonds5

About 12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole

12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 90193708) has the molecular formula C45H28F3N5 and a molecular weight of 695.75 g/mol. Its IUPAC name is 12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole
PubChem CID90193708
Molecular FormulaC45H28F3N5
Molecular Weight695.75 g/mol
Exact Mass695.23
IUPAC Name12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole
SMILESFC(F)(F)c1ccc(-n2nnc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C45H28F3N5/c46-45(47,48)31-21-25-34(26-22-31)53-43(30-11-3-1-4-12-30)42(49-50-53)29-19-23-33(24-20-29)51-39-18-10-8-16-37(39)41-40(51)28-27-36-35-15-7-9-17-38(35)52(44(36)41)32-13-5-2-6-14-32/h1-28H
InChIKeyUGWAZJMEUHZWOW-UHFFFAOYSA-N
XLogP11.81
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.75
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 90193717
5-(4-phenylphenyl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 135166213
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole
CID 121241302
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
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-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole (CID 90193708) is 12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole is FC(F)(F)c1ccc(-n2nnc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is UGWAZJMEUHZWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28F3N5/c46-45(47,48)31-21-25-34(26-22-31)53-43(30-11-3-1-4-12-30)42(49-50-53)29-19-23-33(24-20-29)51-39-18-10-8-16-37(39)41-40(51)28-27-36-35-15-7-9-17-38(35)52(44(36)41)32-13-5-2-6-14-32/h1-28H.
What are the key properties of 12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole?
12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 695.75 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 90193708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).