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

C58H34N6O — CID 155159730

IUPAC1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c2c(-c2ccccc2)cc2c4ccccc4n(-c4ccccc4)c23)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C58H34N6O/c59-35-39-33-48(51-43-29-15-18-32-49(43)65-55(51)50(39)58-61-56(37-21-7-2-8-22-37)60-57(62-58)38-23-9-3-10-24-38)64-47-31-17-14-28-42(47)52-53(64)44(36-19-5-1-6-20-36)34-45-41-27-13-16-30-46(41)63(54(45)52)40-25-11-4-12-26-40/h1-34H
InChIKeyICUKHAIECFDJRP-UHFFFAOYSA-N
MW830.95 g/mol
LogP14.50
Rot. Bonds6

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

1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile (PubChem CID 155159730) has the molecular formula C58H34N6O and a molecular weight of 830.95 g/mol. Its IUPAC name is 1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
PubChem CID155159730
Molecular FormulaC58H34N6O
Molecular Weight830.95 g/mol
Exact Mass830.28
IUPAC Name1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c2c(-c2ccccc2)cc2c4ccccc4n(-c4ccccc4)c23)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C58H34N6O/c59-35-39-33-48(51-43-29-15-18-32-49(43)65-55(51)50(39)58-61-56(37-21-7-2-8-22-37)60-57(62-58)38-23-9-3-10-24-38)64-47-31-17-14-28-42(47)52-53(64)44(36-19-5-1-6-20-36)34-45-41-27-13-16-30-46(41)63(54(45)52)40-25-11-4-12-26-40/h1-34H
InChIKeyICUKHAIECFDJRP-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

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
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile
CID 155158816
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2-carbonitrile
CID 155158821
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
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)dibenzofuran-3-carbonitrile
CID 155159717
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
1-(5-dibenzofuran-2-yl-14-phenyl-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-nonaen-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159131
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
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenylindolo[3,2-c]carbazole
CID 129141720
12-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazole
CID 155158723
4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155158759
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

Frequently Asked Questions

What is the IUPAC name of 1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
The IUPAC name of 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) is 1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile.
What is the SMILES notation for 1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
The canonical SMILES for 1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile is N#Cc1cc(-n2c3ccccc3c3c2c(-c2ccccc2)cc2c4ccccc4n(-c4ccccc4)c23)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
The InChIKey is ICUKHAIECFDJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N6O/c59-35-39-33-48(51-43-29-15-18-32-49(43)65-55(51)50(39)58-61-56(37-21-7-2-8-22-37)60-57(62-58)38-23-9-3-10-24-38)64-47-31-17-14-28-42(47)52-53(64)44(36-19-5-1-6-20-36)34-45-41-27-13-16-30-46(41)63(54(45)52)40-25-11-4-12-26-40/h1-34H.
What are the key properties of 1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(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 1-(6,12-diphenylindolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile is sourced from PubChem (CID 155159730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).