6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile

C53H30N6O — CID 118153014

IUPAC6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)oc3cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cnc34)ccc1n2-c1ccccc1
InChIInChI=1S/C53H30N6O/c54-30-32-14-22-46-44(24-32)45-27-37(20-23-47(45)59(46)42-12-2-1-3-13-42)38-19-21-43-48(28-38)60-49-29-41(31-55-50(43)49)53-57-51(39-17-15-33-8-4-6-10-35(33)25-39)56-52(58-53)40-18-16-34-9-5-7-11-36(34)26-40/h1-29,31H
InChIKeyOHNJXNVHKWSPKI-UHFFFAOYSA-N
MW766.86 g/mol
LogP13.11
Rot. Bonds5

About 6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile

6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile (PubChem CID 118153014) has the molecular formula C53H30N6O and a molecular weight of 766.86 g/mol. Its IUPAC name is 6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile
PubChem CID118153014
Molecular FormulaC53H30N6O
Molecular Weight766.86 g/mol
Exact Mass766.25
IUPAC Name6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)oc3cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cnc34)ccc1n2-c1ccccc1
InChIInChI=1S/C53H30N6O/c54-30-32-14-22-46-44(24-32)45-27-37(20-23-47(45)59(46)42-12-2-1-3-13-42)38-19-21-43-48(28-38)60-49-29-41(31-55-50(43)49)53-57-51(39-17-15-33-8-4-6-10-35(33)25-39)56-52(58-53)40-18-16-34-9-5-7-11-36(34)26-40/h1-29,31H
InChIKeyOHNJXNVHKWSPKI-UHFFFAOYSA-N
XLogP13.11
TPSA93.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.86
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 166009395
3-[3-[4-(9-phenylcarbazol-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774788
6-[4,6-bis(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-2-carbonitrile
CID 126551243
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
3-[3-[4-(9-phenylcarbazol-3-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774693
3,9-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166009426
9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
CID 118152672
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726
6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
CID 134389026

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile (CID 118153014) is 6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)oc3cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cnc34)ccc1n2-c1ccccc1.
What is the InChIKey of 6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile?
The InChIKey is OHNJXNVHKWSPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N6O/c54-30-32-14-22-46-44(24-32)45-27-37(20-23-47(45)59(46)42-12-2-1-3-13-42)38-19-21-43-48(28-38)60-49-29-41(31-55-50(43)49)53-57-51(39-17-15-33-8-4-6-10-35(33)25-39)56-52(58-53)40-18-16-34-9-5-7-11-36(34)26-40/h1-29,31H.
What are the key properties of 6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile?
6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile has a molecular weight of 766.86 g/mol, XLogP of 13.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 118153014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).