5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole

C78H50N10O2 — CID 165042546

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6[nH]c7ccccc7c6ccc54)cc3)n2)cc1
InChIInChI=1S/C39H25N5O2.C39H25N5/c45-44(46)36-18-10-7-15-31(36)29-21-24-35-33(25-29)32-16-8-9-17-34(32)43(35)30-22-19-28(20-23-30)39-41-37(26-11-3-1-4-12-26)40-38(42-39)27-13-5-2-6-14-27;1-3-11-25(12-4-1)37-41-38(26-13-5-2-6-14-26)43-39(42-37)27-19-21-28(22-20-27)44-33-18-10-8-16-31(33)35-34(44)24-23-30-29-15-7-9-17-32(29)40-36(30)35/h1-25H;1-24,40H
InChIKeyOJAWSWUQOBRADG-UHFFFAOYSA-N
MW1159.33 g/mol
LogP19.15
Rot. Bonds10

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole (PubChem CID 165042546) has the molecular formula C78H50N10O2 and a molecular weight of 1159.33 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole
PubChem CID165042546
Molecular FormulaC78H50N10O2
Molecular Weight1159.33 g/mol
Exact Mass1158.41
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6[nH]c7ccccc7c6ccc54)cc3)n2)cc1
InChIInChI=1S/C39H25N5O2.C39H25N5/c45-44(46)36-18-10-7-15-31(36)29-21-24-35-33(25-29)32-16-8-9-17-34(32)43(35)30-22-19-28(20-23-30)39-41-37(26-11-3-1-4-12-26)40-38(42-39)27-13-5-2-6-14-27;1-3-11-25(12-4-1)37-41-38(26-13-5-2-6-14-26)43-39(42-37)27-19-21-28(22-20-27)44-33-18-10-8-16-31(33)35-34(44)24-23-30-29-15-7-9-17-32(29)40-36(30)35/h1-25H;1-24,40H
InChIKeyOJAWSWUQOBRADG-UHFFFAOYSA-N
XLogP19.15
TPSA146.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.33
LogP ≤ 519.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole with MolForge

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Related Compounds

2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138599601
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 161068654
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 138599849
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139481059
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole
CID 121306297
9-(4-carbazol-9-ylphenyl)-14-[4-[4-[4-[6-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]-9-phenylcarbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163928350
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole (CID 165042546) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole is O=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6[nH]c7ccccc7c6ccc54)cc3)n2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole?
The InChIKey is OJAWSWUQOBRADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5O2.C39H25N5/c45-44(46)36-18-10-7-15-31(36)29-21-24-35-33(25-29)32-16-8-9-17-34(32)43(35)30-22-19-28(20-23-30)39-41-37(26-11-3-1-4-12-26)40-38(42-39)27-13-5-2-6-14-27;1-3-11-25(12-4-1)37-41-38(26-13-5-2-6-14-26)43-39(42-37)27-19-21-28(22-20-27)44-33-18-10-8-16-31(33)35-34(44)24-23-30-29-15-7-9-17-32(29)40-36(30)35/h1-25H;1-24,40H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole has a molecular weight of 1159.33 g/mol, XLogP of 19.15, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole is sourced from PubChem (CID 165042546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).