N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine

C166H107N3S3 — CID 158559145

IUPACN-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6cccc7ccccc67)cccc45)c3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6cccc7ccccc67)cccc45)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C58H37NS.2C54H35NS/c1-2-14-38(15-3-1)39-30-32-42(33-31-39)59(44-34-35-52-50-23-7-6-21-48(50)49-22-8-9-24-51(49)56(52)37-44)43-19-10-18-41(36-43)46-25-12-28-54-55-29-13-27-53(58(55)60-57(46)54)47-26-11-17-40-16-4-5-20-45(40)47;1-3-14-36(15-4-1)37-28-30-40(31-29-37)55(42-32-33-49-47-22-8-7-20-45(47)46-21-9-10-23-48(46)52(49)35-42)41-19-11-18-39(34-41)44-25-13-27-51-50-26-12-24-43(53(50)56-54(44)51)38-16-5-2-6-17-38;1-2-14-36(15-3-1)37-30-32-41(33-31-37)55(52-35-40-17-5-7-22-44(40)46-23-8-9-24-48(46)52)42-20-10-19-39(34-42)45-25-12-28-50-51-29-13-27-49(54(51)56-53(45)50)47-26-11-18-38-16-4-6-21-43(38)47/h1-37H;2*1-35H
InChIKeyHQQXULKRZOQHNW-UHFFFAOYSA-N
MW2239.90 g/mol
LogP49.11
Rot. Bonds18

About N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine

N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (PubChem CID 158559145) has the molecular formula C166H107N3S3 and a molecular weight of 2239.90 g/mol. Its IUPAC name is N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
PubChem CID158559145
Molecular FormulaC166H107N3S3
Molecular Weight2239.90 g/mol
Exact Mass2237.76
IUPAC NameN-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6cccc7ccccc67)cccc45)c3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6cccc7ccccc67)cccc45)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C58H37NS.2C54H35NS/c1-2-14-38(15-3-1)39-30-32-42(33-31-39)59(44-34-35-52-50-23-7-6-21-48(50)49-22-8-9-24-51(49)56(52)37-44)43-19-10-18-41(36-43)46-25-12-28-54-55-29-13-27-53(58(55)60-57(46)54)47-26-11-17-40-16-4-5-20-45(40)47;1-3-14-36(15-4-1)37-28-30-40(31-29-37)55(42-32-33-49-47-22-8-7-20-45(47)46-21-9-10-23-48(46)52(49)35-42)41-19-11-18-39(34-41)44-25-13-27-51-50-26-12-24-43(53(50)56-54(44)51)38-16-5-2-6-17-38;1-2-14-36(15-3-1)37-30-32-41(33-31-37)55(52-35-40-17-5-7-22-44(40)46-23-8-9-24-48(46)52)42-20-10-19-39(34-42)45-25-12-28-50-51-29-13-27-49(54(51)56-53(45)50)47-26-11-18-38-16-4-6-21-43(38)47/h1-37H;2*1-35H
InChIKeyHQQXULKRZOQHNW-UHFFFAOYSA-N
XLogP49.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002239.90
LogP ≤ 549.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine with MolForge

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Related Compounds

3-(6-naphthalen-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 161497507
N,N-bis(3-dibenzothiophen-4-ylphenyl)phenanthren-9-amine;N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-(4-phenylphenyl)aniline;2-dibenzothiophen-4-yl-N-(2-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159307447
6-N,12-N-bis(3-dibenzothiophen-4-ylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine
CID 58462056
N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 158598574
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604907
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
4-[4-[2-(N-phenanthren-9-ylanilino)dibenzothiophen-4-yl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 146638922
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yl-6-phenyldibenzothiophen-4-amine
CID 168809687
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-(4-naphthalen-1-ylphenyl)-3-(8-phenylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine;3-(8-phenylnaphthalen-1-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-3-(10-phenylphenanthren-9-yl)aniline
CID 161303851

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (CID 158559145) is N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6cccc7ccccc67)cccc45)c3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6cccc7ccccc67)cccc45)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The InChIKey is HQQXULKRZOQHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NS.2C54H35NS/c1-2-14-38(15-3-1)39-30-32-42(33-31-39)59(44-34-35-52-50-23-7-6-21-48(50)49-22-8-9-24-51(49)56(52)37-44)43-19-10-18-41(36-43)46-25-12-28-54-55-29-13-27-53(58(55)60-57(46)54)47-26-11-17-40-16-4-5-20-45(40)47;1-3-14-36(15-4-1)37-28-30-40(31-29-37)55(42-32-33-49-47-22-8-7-20-45(47)46-21-9-10-23-48(46)52(49)35-42)41-19-11-18-39(34-41)44-25-13-27-51-50-26-12-24-43(53(50)56-54(44)51)38-16-5-2-6-17-38;1-2-14-36(15-3-1)37-30-32-41(33-31-37)55(52-35-40-17-5-7-22-44(40)46-23-8-9-24-48(46)52)42-20-10-19-39(34-42)45-25-12-28-50-51-29-13-27-49(54(51)56-53(45)50)47-26-11-18-38-16-4-6-21-43(38)47/h1-37H;2*1-35H.
What are the key properties of N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine has a molecular weight of 2239.90 g/mol, XLogP of 49.11, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 158559145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).