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

C52H30N6O — CID 155158816

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C52H30N6O/c53-31-34-28-45(58-42-26-14-11-23-37(42)40-29-39-36-22-10-13-25-41(36)57(43(39)30-44(40)58)35-20-8-3-9-21-35)48-38-24-12-15-27-46(38)59-49(48)47(34)52-55-50(32-16-4-1-5-17-32)54-51(56-52)33-18-6-2-7-19-33/h1-30H
InChIKeyMRKWSYUXJLXISC-UHFFFAOYSA-N
MW754.85 g/mol
LogP12.84
Rot. Bonds5

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

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile (PubChem CID 155158816) has the molecular formula C52H30N6O and a molecular weight of 754.85 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile
PubChem CID155158816
Molecular FormulaC52H30N6O
Molecular Weight754.85 g/mol
Exact Mass754.25
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C52H30N6O/c53-31-34-28-45(58-42-26-14-11-23-37(42)40-29-39-36-22-10-13-25-41(36)57(43(39)30-44(40)58)35-20-8-3-9-21-35)48-38-24-12-15-27-46(38)59-49(48)47(34)52-55-50(32-16-4-1-5-17-32)54-51(56-52)33-18-6-2-7-19-33/h1-30H
InChIKeyMRKWSYUXJLXISC-UHFFFAOYSA-N
XLogP12.84
TPSA85.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 512.84
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
1-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155158751
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
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-(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
4-(2-dibenzothiophen-2-yl-7-phenylindolo[2,3-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155160105
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
CID 155160135
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-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155158759
2-dibenzofuran-2-yl-7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[2,3-b]carbazole
CID 155158827
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155159726
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-[1]benzofuro[3,2-b]carbazole
CID 155158601

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile?
The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile (CID 155158816) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile is N#Cc1cc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile?
The InChIKey is MRKWSYUXJLXISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N6O/c53-31-34-28-45(58-42-26-14-11-23-37(42)40-29-39-36-22-10-13-25-41(36)57(43(39)30-44(40)58)35-20-8-3-9-21-35)48-38-24-12-15-27-46(38)59-49(48)47(34)52-55-50(32-16-4-1-5-17-32)54-51(56-52)33-18-6-2-7-19-33/h1-30H.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile?
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile has a molecular weight of 754.85 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile is sourced from PubChem (CID 155158816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).