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

C110H69N5S — CID 157091927

IUPAC4-[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
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc6c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N3.C52H32N2S/c1-4-16-38(17-5-1)53-37-54(60-58(59-53)39-18-6-2-7-19-39)43-21-14-20-42(34-43)45-27-15-28-49-46-24-10-11-25-47(46)51-35-40(30-32-50(51)57(45)49)41-31-33-56-52(36-41)48-26-12-13-29-55(48)61(56)44-22-8-3-9-23-44;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-43-40-19-7-8-20-41(40)45-30-35(25-27-44(45)51(39)43)36-26-28-50-46(31-36)42-21-9-10-24-49(42)55-50/h1-37H;1-32H
InChIKeyAETLNSAHARSSGS-UHFFFAOYSA-N
MW1492.86 g/mol
LogP30.01
Rot. Bonds11

About 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

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 (PubChem CID 157091927) has the molecular formula C110H69N5S and a molecular weight of 1492.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID157091927
Molecular FormulaC110H69N5S
Molecular Weight1492.86 g/mol
Exact Mass1491.53
IUPAC Name4-[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
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc6c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N3.C52H32N2S/c1-4-16-38(17-5-1)53-37-54(60-58(59-53)39-18-6-2-7-19-39)43-21-14-20-42(34-43)45-27-15-28-49-46-24-10-11-25-47(46)51-35-40(30-32-50(51)57(45)49)41-31-33-56-52(36-41)48-26-12-13-29-55(48)61(56)44-22-8-3-9-23-44;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-43-40-19-7-8-20-41(40)45-30-35(25-27-44(45)51(39)43)36-26-28-50-46(31-36)42-21-9-10-24-49(42)55-50/h1-37H;1-32H
InChIKeyAETLNSAHARSSGS-UHFFFAOYSA-N
XLogP30.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001492.86
LogP ≤ 530.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[10-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 138599940
3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366763
3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 160972461
2-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366734
3-[4-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-9-phenylcarbazole
CID 167237296
2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 158710301
3-[3-carbazol-9-yl-5-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole
CID 154950110
9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole
CID 154938925
3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 138600375
3-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;methane
CID 161295747
4-(10-dibenzothiophen-2-yltriphenylen-1-yl)-2,6-diphenylpyrimidine
CID 138600123
3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158954926

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is AETLNSAHARSSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3.C52H32N2S/c1-4-16-38(17-5-1)53-37-54(60-58(59-53)39-18-6-2-7-19-39)43-21-14-20-42(34-43)45-27-15-28-49-46-24-10-11-25-47(46)51-35-40(30-32-50(51)57(45)49)41-31-33-56-52(36-41)48-26-12-13-29-55(48)61(56)44-22-8-3-9-23-44;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-43-40-19-7-8-20-41(40)45-30-35(25-27-44(45)51(39)43)36-26-28-50-46(31-36)42-21-9-10-24-49(42)55-50/h1-37H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 1492.86 g/mol, XLogP of 30.01, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157091927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).