2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile

C76H46N8 — CID 169060002

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
SMILESN#Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C76H46N8/c77-47-63-53(34-21-39-68(63)83-66-37-19-15-32-56(66)61-43-59-54-30-13-17-35-64(54)81(70(59)45-72(61)83)51-26-9-3-10-27-51)58-41-40-50(76-79-74(48-22-5-1-6-23-48)78-75(80-76)49-24-7-2-8-25-49)42-69(58)84-67-38-20-16-33-57(67)62-44-60-55-31-14-18-36-65(55)82(71(60)46-73(62)84)52-28-11-4-12-29-52/h1-46H
InChIKeyURSBJDSODAPQQY-UHFFFAOYSA-N
MW1071.26 g/mol
LogP18.80
Rot. Bonds8

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile (PubChem CID 169060002) has the molecular formula C76H46N8 and a molecular weight of 1071.26 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
PubChem CID169060002
Molecular FormulaC76H46N8
Molecular Weight1071.26 g/mol
Exact Mass1070.38
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
SMILESN#Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C76H46N8/c77-47-63-53(34-21-39-68(63)83-66-37-19-15-32-56(66)61-43-59-54-30-13-17-35-64(54)81(70(59)45-72(61)83)51-26-9-3-10-27-51)58-41-40-50(76-79-74(48-22-5-1-6-23-48)78-75(80-76)49-24-7-2-8-25-49)42-69(58)84-67-38-20-16-33-57(67)62-44-60-55-31-14-18-36-65(55)82(71(60)46-73(62)84)52-28-11-4-12-29-52/h1-46H
InChIKeyURSBJDSODAPQQY-UHFFFAOYSA-N
XLogP18.80
TPSA82.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.26
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile with MolForge

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Related Compounds

5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 155761345
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059867
4-[4-[4-(2-cyanophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 170664720
3-[5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139496244
4-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 153432288
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139495914
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059812
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402
9-[2-naphthalen-1-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658673
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7-diphenylindolo[2,3-b]carbazole
CID 158910777
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]benzonitrile
CID 154603008

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile (CID 169060002) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile is N#Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The InChIKey is URSBJDSODAPQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N8/c77-47-63-53(34-21-39-68(63)83-66-37-19-15-32-56(66)61-43-59-54-30-13-17-35-64(54)81(70(59)45-72(61)83)51-26-9-3-10-27-51)58-41-40-50(76-79-74(48-22-5-1-6-23-48)78-75(80-76)49-24-7-2-8-25-49)42-69(58)84-67-38-20-16-33-57(67)62-44-60-55-31-14-18-36-65(55)82(71(60)46-73(62)84)52-28-11-4-12-29-52/h1-46H.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile has a molecular weight of 1071.26 g/mol, XLogP of 18.80, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 169060002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).