N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine

C148H93N3S6 — CID 158594661

IUPACN-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc4c(c3)sc3ccccc34)c3cc4ccccc4c4ccccc34)c2)cc1.c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc4ccccc4c3)c3ccc4c(c3)sc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3cc(-c4cccc5ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C52H33NS2.C50H31NS2.C46H29NS2/c1-2-12-34(13-3-1)35-24-26-39(27-25-35)53(40-28-29-47-45-17-6-8-22-49(45)54-51(47)33-40)41-31-37(43-19-10-15-36-14-4-5-16-42(36)43)30-38(32-41)44-20-11-21-48-46-18-7-9-23-50(46)55-52(44)48;1-2-13-32(14-3-1)34-27-35(39-21-12-22-45-43-20-9-11-24-48(43)53-50(39)45)29-37(28-34)51(36-25-26-44-42-19-8-10-23-47(42)52-49(44)31-36)46-30-33-15-4-5-16-38(33)40-17-6-7-18-41(40)46;1-2-11-30(12-3-1)33-25-34(38-17-10-18-42-40-16-7-9-20-44(40)49-46(38)42)28-37(27-33)47(35-22-21-31-13-4-5-14-32(31)26-35)36-23-24-41-39-15-6-8-19-43(39)48-45(41)29-36/h1-33H;1-31H;1-29H
InChIKeyHUWJMFCQUCPBMV-UHFFFAOYSA-N
MW2105.79 g/mol
LogP45.96
Rot. Bonds16

About N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine

N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine (PubChem CID 158594661) has the molecular formula C148H93N3S6 and a molecular weight of 2105.79 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine
PubChem CID158594661
Molecular FormulaC148H93N3S6
Molecular Weight2105.79 g/mol
Exact Mass2103.57
IUPAC NameN-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc4c(c3)sc3ccccc34)c3cc4ccccc4c4ccccc34)c2)cc1.c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc4ccccc4c3)c3ccc4c(c3)sc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3cc(-c4cccc5ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C52H33NS2.C50H31NS2.C46H29NS2/c1-2-12-34(13-3-1)35-24-26-39(27-25-35)53(40-28-29-47-45-17-6-8-22-49(45)54-51(47)33-40)41-31-37(43-19-10-15-36-14-4-5-16-42(36)43)30-38(32-41)44-20-11-21-48-46-18-7-9-23-50(46)55-52(44)48;1-2-13-32(14-3-1)34-27-35(39-21-12-22-45-43-20-9-11-24-48(43)53-50(39)45)29-37(28-34)51(36-25-26-44-42-19-8-10-23-47(42)52-49(44)31-36)46-30-33-15-4-5-16-38(33)40-17-6-7-18-41(40)46;1-2-11-30(12-3-1)33-25-34(38-17-10-18-42-40-16-7-9-20-44(40)49-46(38)42)28-37(27-33)47(35-22-21-31-13-4-5-14-32(31)26-35)36-23-24-41-39-15-6-8-19-43(39)48-45(41)29-36/h1-33H;1-31H;1-29H
InChIKeyHUWJMFCQUCPBMV-UHFFFAOYSA-N
XLogP45.96
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002105.79
LogP ≤ 545.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine
CID 163990903
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 158103860
N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 159100981
N-(3-dibenzothiophen-4-yl-4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161177899
N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;3-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;7-dibenzothiophen-4-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161495248
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 163818841
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine
CID 163769563
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(4-phenylphenyl)aniline
CID 158744842
N-[3-[3-(4-naphtho[1,2-b][1]benzothiol-6-yl-N-phenanthren-9-ylanilino)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-7-phenylphenanthren-2-amine
CID 167086766

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine?
The IUPAC name of N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine (CID 158594661) is N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine is c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc4c(c3)sc3ccccc34)c3cc4ccccc4c4ccccc34)c2)cc1.c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc4ccccc4c3)c3ccc4c(c3)sc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3cc(-c4cccc5ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine?
The InChIKey is HUWJMFCQUCPBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2.C50H31NS2.C46H29NS2/c1-2-12-34(13-3-1)35-24-26-39(27-25-35)53(40-28-29-47-45-17-6-8-22-49(45)54-51(47)33-40)41-31-37(43-19-10-15-36-14-4-5-16-42(36)43)30-38(32-41)44-20-11-21-48-46-18-7-9-23-50(46)55-52(44)48;1-2-13-32(14-3-1)34-27-35(39-21-12-22-45-43-20-9-11-24-48(43)53-50(39)45)29-37(28-34)51(36-25-26-44-42-19-8-10-23-47(42)52-49(44)31-36)46-30-33-15-4-5-16-38(33)40-17-6-7-18-41(40)46;1-2-11-30(12-3-1)33-25-34(38-17-10-18-42-40-16-7-9-20-44(40)49-46(38)42)28-37(27-33)47(35-22-21-31-13-4-5-14-32(31)26-35)36-23-24-41-39-15-6-8-19-43(39)48-45(41)29-36/h1-33H;1-31H;1-29H.
What are the key properties of N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine?
N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine has a molecular weight of 2105.79 g/mol, XLogP of 45.96, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine is sourced from PubChem (CID 158594661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).