2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile

C70H44N8 — CID 154938751

IUPAC2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile
SMILESN#CC1=C(n2c3ccccc3c3ccccc32)C(n2c3ccccc3c3ccccc32)C(n2c3ccccc3c3ccccc32)C(n2c3ccccc3c3ccccc32)=C1c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C70H44N8/c71-43-54-63(70-73-68(44-23-3-1-4-24-44)72-69(74-70)45-25-5-2-6-26-45)65(76-57-37-17-9-29-48(57)49-30-10-18-38-58(49)76)67(78-61-41-21-13-33-52(61)53-34-14-22-42-62(53)78)66(77-59-39-19-11-31-50(59)51-32-12-20-40-60(51)77)64(54)75-55-35-15-7-27-46(55)47-28-8-16-36-56(47)75/h1-42,66-67H
InChIKeyIOBCKMUHXMQLKP-UHFFFAOYSA-N
MW997.18 g/mol
LogP16.94
Rot. Bonds7

About 2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile

2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile (PubChem CID 154938751) has the molecular formula C70H44N8 and a molecular weight of 997.18 g/mol. Its IUPAC name is 2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile
PubChem CID154938751
Molecular FormulaC70H44N8
Molecular Weight997.18 g/mol
Exact Mass996.37
IUPAC Name2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile
SMILESN#CC1=C(n2c3ccccc3c3ccccc32)C(n2c3ccccc3c3ccccc32)C(n2c3ccccc3c3ccccc32)C(n2c3ccccc3c3ccccc32)=C1c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C70H44N8/c71-43-54-63(70-73-68(44-23-3-1-4-24-44)72-69(74-70)45-25-5-2-6-26-45)65(76-57-37-17-9-29-48(57)49-30-10-18-38-58(49)76)67(78-61-41-21-13-33-52(61)53-34-14-22-42-62(53)78)66(77-59-39-19-11-31-50(59)51-32-12-20-40-60(51)77)64(54)75-55-35-15-7-27-46(55)47-28-8-16-36-56(47)75/h1-42,66-67H
InChIKeyIOBCKMUHXMQLKP-UHFFFAOYSA-N
XLogP16.94
TPSA82.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.18
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
CID 140903236
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262
5-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 137414622
3-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421286
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
3-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclobuta-1,3-diene-1-carbonitrile
CID 145186377
5-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476292
5-[9-[4-(4-cyanophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142577639
3-[3-(3-cyanophenyl)-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155446453
3-[9-[2,6-bis(4-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155447249

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile (CID 154938751) is 2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile is N#CC1=C(n2c3ccccc3c3ccccc32)C(n2c3ccccc3c3ccccc32)C(n2c3ccccc3c3ccccc32)C(n2c3ccccc3c3ccccc32)=C1c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is IOBCKMUHXMQLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N8/c71-43-54-63(70-73-68(44-23-3-1-4-24-44)72-69(74-70)45-25-5-2-6-26-45)65(76-57-37-17-9-29-48(57)49-30-10-18-38-58(49)76)67(78-61-41-21-13-33-52(61)53-34-14-22-42-62(53)78)66(77-59-39-19-11-31-50(59)51-32-12-20-40-60(51)77)64(54)75-55-35-15-7-27-46(55)47-28-8-16-36-56(47)75/h1-42,66-67H.
What are the key properties of 2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile?
2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 997.18 g/mol, XLogP of 16.94, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 154938751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).