2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine

C144H88N8OS3 — CID 163725404

IUPAC2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4c5ccccc5c(-c5ccccc5)c5sc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4ccccc45)nc(-c4c5ccccc5c(-c5ccccc5)c5sc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C51H31N3S.C49H31N3S.C44H26N2OS/c1-3-14-32(15-4-1)33-26-28-36(29-27-33)49-52-50(42-24-13-23-38-37-19-8-7-16-34(37)30-31-39(38)42)54-51(53-49)47-41-21-10-9-20-40(41)45(35-17-5-2-6-18-35)48-46(47)43-22-11-12-25-44(43)55-48;1-4-16-32(17-5-1)33-28-30-34(31-29-33)37-22-10-13-25-40(37)48-50-47(36-20-8-3-9-21-36)51-49(52-48)45-39-24-12-11-23-38(39)43(35-18-6-2-7-19-35)46-44(45)41-26-14-15-27-42(41)53-46;1-3-14-27(15-4-1)29-18-13-19-30(26-29)37-31-20-7-8-21-32(31)39(38-33-22-9-11-24-35(33)47-42(37)38)44-45-40(28-16-5-2-6-17-28)43-41(46-44)34-23-10-12-25-36(34)48-43/h1-31H;1-31H;1-26H
InChIKeyKVCNQJHBOHXOSC-UHFFFAOYSA-N
MW2042.54 g/mol
LogP39.99
Rot. Bonds15

About 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine

2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 163725404) has the molecular formula C144H88N8OS3 and a molecular weight of 2042.54 g/mol. Its IUPAC name is 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID163725404
Molecular FormulaC144H88N8OS3
Molecular Weight2042.54 g/mol
Exact Mass2040.62
IUPAC Name2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4c5ccccc5c(-c5ccccc5)c5sc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4ccccc45)nc(-c4c5ccccc5c(-c5ccccc5)c5sc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C51H31N3S.C49H31N3S.C44H26N2OS/c1-3-14-32(15-4-1)33-26-28-36(29-27-33)49-52-50(42-24-13-23-38-37-19-8-7-16-34(37)30-31-39(38)42)54-51(53-49)47-41-21-10-9-20-40(41)45(35-17-5-2-6-18-35)48-46(47)43-22-11-12-25-44(43)55-48;1-4-16-32(17-5-1)33-28-30-34(31-29-33)37-22-10-13-25-40(37)48-50-47(36-20-8-3-9-21-36)51-49(52-48)45-39-24-12-11-23-38(39)43(35-18-6-2-7-19-35)46-44(45)41-26-14-15-27-42(41)53-46;1-3-14-27(15-4-1)29-18-13-19-30(26-29)37-31-20-7-8-21-32(31)39(38-33-22-9-11-24-35(33)47-42(37)38)44-45-40(28-16-5-2-6-17-28)43-41(46-44)34-23-10-12-25-36(34)48-43/h1-31H;1-31H;1-26H
InChIKeyKVCNQJHBOHXOSC-UHFFFAOYSA-N
XLogP39.99
TPSA116.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002042.54
LogP ≤ 539.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

2,4-diphenyl-6-[8-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163963336
2-dibenzofuran-3-yl-4-phenyl-6-[4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine
CID 163618006
2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162712574
2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 160535133
4-phenyl-2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 154978377
2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 155050032
2-[4-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 170092017
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978761
2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 152811481
2-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978282
2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159276676
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978573

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 163725404) is 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4c5ccccc5c(-c5ccccc5)c5sc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4ccccc45)nc(-c4c5ccccc5c(-c5ccccc5)c5sc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)c4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is KVCNQJHBOHXOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S.C49H31N3S.C44H26N2OS/c1-3-14-32(15-4-1)33-26-28-36(29-27-33)49-52-50(42-24-13-23-38-37-19-8-7-16-34(37)30-31-39(38)42)54-51(53-49)47-41-21-10-9-20-40(41)45(35-17-5-2-6-18-35)48-46(47)43-22-11-12-25-44(43)55-48;1-4-16-32(17-5-1)33-28-30-34(31-29-33)37-22-10-13-25-40(37)48-50-47(36-20-8-3-9-21-36)51-49(52-48)45-39-24-12-11-23-38(39)43(35-18-6-2-7-19-35)46-44(45)41-26-14-15-27-42(41)53-46;1-3-14-27(15-4-1)29-18-13-19-30(26-29)37-31-20-7-8-21-32(31)39(38-33-22-9-11-24-35(33)47-42(37)38)44-45-40(28-16-5-2-6-17-28)43-41(46-44)34-23-10-12-25-36(34)48-43/h1-31H;1-31H;1-26H.
What are the key properties of 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine?
2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2042.54 g/mol, XLogP of 39.99, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-1-yl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-phenyl-2-[6-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 163725404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).