12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

C44H29N5 — CID 90193717

IUPAC12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C44H29N5/c1-4-14-30(15-5-1)42-43(49(46-45-42)34-18-8-3-9-19-34)31-24-26-33(27-25-31)48-38-22-12-10-20-35(38)36-28-29-40-41(44(36)48)37-21-11-13-23-39(37)47(40)32-16-6-2-7-17-32/h1-29H
InChIKeyXEVJFAZWTBNHPR-UHFFFAOYSA-N
MW627.75 g/mol
LogP10.80
Rot. Bonds5

About 12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 90193717) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID90193717
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC Name12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C44H29N5/c1-4-14-30(15-5-1)42-43(49(46-45-42)34-18-8-3-9-19-34)31-24-26-33(27-25-31)48-38-22-12-10-20-35(38)36-28-29-40-41(44(36)48)37-21-11-13-23-39(37)47(40)32-16-6-2-7-17-32/h1-29H
InChIKeyXEVJFAZWTBNHPR-UHFFFAOYSA-N
XLogP10.80
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-phenyl-5-[4-[5-phenyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 90193708
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-(3,5-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
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
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-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (CID 90193717) is 12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2nnn(-c3ccccc3)c2-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1.
What is the InChIKey of 12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is XEVJFAZWTBNHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-4-14-30(15-5-1)42-43(49(46-45-42)34-18-8-3-9-19-34)31-24-26-33(27-25-31)48-38-22-12-10-20-35(38)36-28-29-40-41(44(36)48)37-21-11-13-23-39(37)47(40)32-16-6-2-7-17-32/h1-29H.
What are the key properties of 12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 627.75 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 90193717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).