4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline

C150H102N4S2 — CID 160646812

IUPAC4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline
SMILESCc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)cc2)cc1C.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C78H54N2S.C72H48N2S/c1-51-48-60(79(56-18-5-3-6-19-56)57-20-7-4-8-21-57)41-44-62(51)63-45-42-61(49-52(63)2)80(58-37-32-53(33-38-58)55-36-43-72-69-26-12-11-24-67(69)68-25-13-14-27-70(68)76(72)50-55)59-39-34-54(35-40-59)64-46-47-71(66-23-10-9-22-65(64)66)74-29-17-30-75-73-28-15-16-31-77(73)81-78(74)75;1-3-14-56(15-4-1)73(57-16-5-2-6-17-57)58-39-32-51(33-40-58)52-34-43-60(44-35-52)74(61-45-36-53(37-46-61)55-38-47-67-65-20-8-7-18-63(65)64-19-9-10-21-66(64)70(67)48-55)59-41-30-50(31-42-59)49-26-28-54(29-27-49)62-23-13-24-69-68-22-11-12-25-71(68)75-72(62)69/h3-50H,1-2H3;1-48H
InChIKeyRJWPIBLLXLGQEC-UHFFFAOYSA-N
MW2024.63 g/mol
LogP44.01
Rot. Bonds20

About 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline

4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline (PubChem CID 160646812) has the molecular formula C150H102N4S2 and a molecular weight of 2024.63 g/mol. Its IUPAC name is 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline
PubChem CID160646812
Molecular FormulaC150H102N4S2
Molecular Weight2024.63 g/mol
Exact Mass2022.75
IUPAC Name4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline
SMILESCc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)cc2)cc1C.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C78H54N2S.C72H48N2S/c1-51-48-60(79(56-18-5-3-6-19-56)57-20-7-4-8-21-57)41-44-62(51)63-45-42-61(49-52(63)2)80(58-37-32-53(33-38-58)55-36-43-72-69-26-12-11-24-67(69)68-25-13-14-27-70(68)76(72)50-55)59-39-34-54(35-40-59)64-46-47-71(66-23-10-9-22-65(64)66)74-29-17-30-75-73-28-15-16-31-77(73)81-78(74)75;1-3-14-56(15-4-1)73(57-16-5-2-6-17-57)58-39-32-51(33-40-58)52-34-43-60(44-35-52)74(61-45-36-53(37-46-61)55-38-47-67-65-20-8-7-18-63(65)64-19-9-10-21-66(64)70(67)48-55)59-41-30-50(31-42-59)49-26-28-54(29-27-49)62-23-13-24-69-68-22-11-12-25-71(68)75-72(62)69/h3-50H,1-2H3;1-48H
InChIKeyRJWPIBLLXLGQEC-UHFFFAOYSA-N
XLogP44.01
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002024.63
LogP ≤ 544.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline with MolForge

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Related Compounds

N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine
CID 161048389
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine
CID 148725515
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161489746
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-phenylaniline
CID 169065539
N-(4-dibenzothiophen-4-ylphenyl)-4-[4-methyl-3-(2-methylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144579175
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline (CID 160646812) is 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline is Cc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)cc2)cc1C.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline?
The InChIKey is RJWPIBLLXLGQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N2S.C72H48N2S/c1-51-48-60(79(56-18-5-3-6-19-56)57-20-7-4-8-21-57)41-44-62(51)63-45-42-61(49-52(63)2)80(58-37-32-53(33-38-58)55-36-43-72-69-26-12-11-24-67(69)68-25-13-14-27-70(68)76(72)50-55)59-39-34-54(35-40-59)64-46-47-71(66-23-10-9-22-65(64)66)74-29-17-30-75-73-28-15-16-31-77(73)81-78(74)75;1-3-14-56(15-4-1)73(57-16-5-2-6-17-57)58-39-32-51(33-40-58)52-34-43-60(44-35-52)74(61-45-36-53(37-46-61)55-38-47-67-65-20-8-7-18-63(65)64-19-9-10-21-66(64)70(67)48-55)59-41-30-50(31-42-59)49-26-28-54(29-27-49)62-23-13-24-69-68-22-11-12-25-71(68)75-72(62)69/h3-50H,1-2H3;1-48H.
What are the key properties of 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline?
4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline has a molecular weight of 2024.63 g/mol, XLogP of 44.01, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 160646812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).