7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole

C54H36N8 — CID 170136413

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
SMILESC1=Cc2c(n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3cc4c(cc23)c2ccccc2n4-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C54H36N8/c1-5-19-35(20-6-1)49-55-50(36-21-7-2-8-22-36)58-53(57-49)41-29-15-18-32-46(41)61-44-30-16-13-27-39(44)42-33-43-40-28-14-17-31-45(40)62(48(43)34-47(42)61)54-59-51(37-23-9-3-10-24-37)56-52(60-54)38-25-11-4-12-26-38/h1-16,18-30,32-34H,17,31H2
InChIKeyNZIVXTWVOGZCBJ-UHFFFAOYSA-N
MW796.94 g/mol
LogP12.39
Rot. Bonds7

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole (PubChem CID 170136413) has the molecular formula C54H36N8 and a molecular weight of 796.94 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
PubChem CID170136413
Molecular FormulaC54H36N8
Molecular Weight796.94 g/mol
Exact Mass796.31
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
SMILESC1=Cc2c(n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3cc4c(cc23)c2ccccc2n4-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C54H36N8/c1-5-19-35(20-6-1)49-55-50(36-21-7-2-8-22-36)58-53(57-49)41-29-15-18-32-46(41)61-44-30-16-13-27-39(44)42-33-43-40-28-14-17-31-45(40)62(48(43)34-47(42)61)54-59-51(37-23-9-3-10-24-37)56-52(60-54)38-25-11-4-12-26-38/h1-16,18-30,32-34H,17,31H2
InChIKeyNZIVXTWVOGZCBJ-UHFFFAOYSA-N
XLogP12.39
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.94
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole with MolForge

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Related Compounds

7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole
CID 175630031
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole
CID 166777780
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 154971962
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene
CID 158500793
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole (CID 170136413) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole is C1=Cc2c(n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3cc4c(cc23)c2ccccc2n4-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole?
The InChIKey is NZIVXTWVOGZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N8/c1-5-19-35(20-6-1)49-55-50(36-21-7-2-8-22-36)58-53(57-49)41-29-15-18-32-46(41)61-44-30-16-13-27-39(44)42-33-43-40-28-14-17-31-45(40)62(48(43)34-47(42)61)54-59-51(37-23-9-3-10-24-37)56-52(60-54)38-25-11-4-12-26-38/h1-16,18-30,32-34H,17,31H2.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole has a molecular weight of 796.94 g/mol, XLogP of 12.39, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 170136413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).