8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile

C125H70N6S2 — CID 161481181

IUPAC8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)ccc1n2-c1ccccc1.N#Cc1ccc2sc3ccc(-c4ccc5ccc6c(-c7cccc8ccccc78)ccc7ccc4c5c76)cc3c2c1.N#Cc1ccc2sc3ccc(-c4ccc5ccc6c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc7ccc4c5c76)cc3c2c1
InChIInChI=1S/C45H25N3S.C41H24N2.C39H21NS/c46-26-27-11-21-41-37(23-27)38-24-32(16-22-42(38)49-41)33-17-12-30-14-19-35-36(20-15-31-13-18-34(33)43(30)44(31)35)45-47-39(28-7-3-1-4-8-28)25-40(48-45)29-9-5-2-6-10-29;42-25-26-9-21-38-36(23-26)37-24-32(18-22-39(37)43(38)33-7-2-1-3-8-33)27-10-12-28(13-11-27)34-19-16-31-15-14-29-5-4-6-30-17-20-35(34)41(31)40(29)30;40-22-23-8-18-36-34(20-23)35-21-27(13-19-37(35)41-36)29-14-9-25-12-17-33-31(15-10-26-11-16-32(29)38(25)39(26)33)30-7-3-5-24-4-1-2-6-28(24)30/h1-25H;1-24H;1-21H
InChIKeyWEJJGNAONARKIS-UHFFFAOYSA-N
MW1720.11 g/mol
LogP34.48
Rot. Bonds9

About 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile

8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile (PubChem CID 161481181) has the molecular formula C125H70N6S2 and a molecular weight of 1720.11 g/mol. Its IUPAC name is 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile
PubChem CID161481181
Molecular FormulaC125H70N6S2
Molecular Weight1720.11 g/mol
Exact Mass1718.51
IUPAC Name8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)ccc1n2-c1ccccc1.N#Cc1ccc2sc3ccc(-c4ccc5ccc6c(-c7cccc8ccccc78)ccc7ccc4c5c76)cc3c2c1.N#Cc1ccc2sc3ccc(-c4ccc5ccc6c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc7ccc4c5c76)cc3c2c1
InChIInChI=1S/C45H25N3S.C41H24N2.C39H21NS/c46-26-27-11-21-41-37(23-27)38-24-32(16-22-42(38)49-41)33-17-12-30-14-19-35-36(20-15-31-13-18-34(33)43(30)44(31)35)45-47-39(28-7-3-1-4-8-28)25-40(48-45)29-9-5-2-6-10-29;42-25-26-9-21-38-36(23-26)37-24-32(18-22-39(37)43(38)33-7-2-1-3-8-33)27-10-12-28(13-11-27)34-19-16-31-15-14-29-5-4-6-30-17-20-35(34)41(31)40(29)30;40-22-23-8-18-36-34(20-23)35-21-27(13-19-37(35)41-36)29-14-9-25-12-17-33-31(15-10-26-11-16-32(29)38(25)39(26)33)30-7-3-5-24-4-1-2-6-28(24)30/h1-25H;1-24H;1-21H
InChIKeyWEJJGNAONARKIS-UHFFFAOYSA-N
XLogP34.48
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001720.11
LogP ≤ 534.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile with MolForge

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Related Compounds

7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile
CID 158645813
6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 169278825
6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile
CID 165376102
3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445727
2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile
CID 145009443
2-(6-phenylpyren-1-yl)-8-pyren-1-yldibenzothiophene
CID 59758450
4-[3-(10-dibenzothiophen-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-phenylcarbazole
CID 157091927
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287046
6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
CID 166868514
3-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;methane
CID 161295747
4-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]fluoranthen-3-yl]benzonitrile
CID 165376402
9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 139556197

Frequently Asked Questions

What is the IUPAC name of 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile?
The IUPAC name of 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile (CID 161481181) is 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile.
What is the SMILES notation for 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile?
The canonical SMILES for 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)ccc1n2-c1ccccc1.N#Cc1ccc2sc3ccc(-c4ccc5ccc6c(-c7cccc8ccccc78)ccc7ccc4c5c76)cc3c2c1.N#Cc1ccc2sc3ccc(-c4ccc5ccc6c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc7ccc4c5c76)cc3c2c1.
What is the InChIKey of 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile?
The InChIKey is WEJJGNAONARKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3S.C41H24N2.C39H21NS/c46-26-27-11-21-41-37(23-27)38-24-32(16-22-42(38)49-41)33-17-12-30-14-19-35-36(20-15-31-13-18-34(33)43(30)44(31)35)45-47-39(28-7-3-1-4-8-28)25-40(48-45)29-9-5-2-6-10-29;42-25-26-9-21-38-36(23-26)37-24-32(18-22-39(37)43(38)33-7-2-1-3-8-33)27-10-12-28(13-11-27)34-19-16-31-15-14-29-5-4-6-30-17-20-35(34)41(31)40(29)30;40-22-23-8-18-36-34(20-23)35-21-27(13-19-37(35)41-36)29-14-9-25-12-17-33-31(15-10-26-11-16-32(29)38(25)39(26)33)30-7-3-5-24-4-1-2-6-28(24)30/h1-25H;1-24H;1-21H.
What are the key properties of 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile?
8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile has a molecular weight of 1720.11 g/mol, XLogP of 34.48, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile is sourced from PubChem (CID 161481181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).