4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile

C58H34N6O — CID 155159407

IUPAC4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C58H34N6O/c59-35-39-33-46(58-61-56(37-21-7-2-8-22-37)60-57(62-58)38-23-9-3-10-24-38)51-43-29-15-18-32-49(43)65-55(51)52(39)64-47-30-16-13-27-41(47)45-34-44(36-19-5-1-6-20-36)50-42-28-14-17-31-48(42)63(54(50)53(45)64)40-25-11-4-12-26-40/h1-34H
InChIKeyIVYYPHQDSWZAFV-UHFFFAOYSA-N
MW830.95 g/mol
LogP14.50
Rot. Bonds6

About 4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile

4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile (PubChem CID 155159407) has the molecular formula C58H34N6O and a molecular weight of 830.95 g/mol. Its IUPAC name is 4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
PubChem CID155159407
Molecular FormulaC58H34N6O
Molecular Weight830.95 g/mol
Exact Mass830.28
IUPAC Name4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C58H34N6O/c59-35-39-33-46(58-61-56(37-21-7-2-8-22-37)60-57(62-58)38-23-9-3-10-24-38)51-43-29-15-18-32-49(43)65-55(51)52(39)64-47-30-16-13-27-41(47)45-34-44(36-19-5-1-6-20-36)50-42-28-14-17-31-48(42)63(54(50)53(45)64)40-25-11-4-12-26-40/h1-34H
InChIKeyIVYYPHQDSWZAFV-UHFFFAOYSA-N
XLogP14.50
TPSA85.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.95
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159419
1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159730
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(14-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-nonaen-9-yl)dibenzofuran-2-carbonitrile
CID 155159425
1-(5-carbazol-9-yl-12-phenylindolo[2,3-a]carbazol-11-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159110
5-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-1-yl]-12-phenylindolo[2,3-a]carbazole
CID 155160161
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaen-9-yl)benzonitrile
CID 154993436
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171730151
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2-carbonitrile
CID 155158821
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 118507599
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaen-24-yl)benzonitrile
CID 140957430
18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 154993453
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379

Frequently Asked Questions

What is the IUPAC name of 4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
The IUPAC name of 4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile (CID 155159407) is 4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile.
What is the SMILES notation for 4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
The canonical SMILES for 4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile is N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
The InChIKey is IVYYPHQDSWZAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N6O/c59-35-39-33-46(58-61-56(37-21-7-2-8-22-37)60-57(62-58)38-23-9-3-10-24-38)51-43-29-15-18-32-49(43)65-55(51)52(39)64-47-30-16-13-27-41(47)45-34-44(36-19-5-1-6-20-36)50-42-28-14-17-31-48(42)63(54(50)53(45)64)40-25-11-4-12-26-40/h1-34H.
What are the key properties of 4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile has a molecular weight of 830.95 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile is sourced from PubChem (CID 155159407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).