N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine

C94H60N2S2 — CID 138708136

IUPACN-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5cc4-c4ccccc4)cc3)c3ccc4c5ccccc5c5cc(-c6ccc7c(c6)sc6cc(N(c8ccc(-c9ccccc9)cc8)c8cccc9ccccc89)c(-c8ccccc8)cc67)ccc5c4c3)cc2)cc1
InChIInChI=1S/C94H60N2S2/c1-5-20-61(21-6-1)63-36-44-71(45-37-63)95(72-48-40-68(41-49-72)83-59-93-87(80-33-17-18-35-91(80)97-93)57-82(83)66-24-9-3-10-25-66)74-50-53-78-76-31-15-16-32-77(76)85-54-69(42-51-79(85)86(78)56-74)70-43-52-81-88-58-84(67-26-11-4-12-27-67)90(60-94(88)98-92(81)55-70)96(89-34-19-29-65-28-13-14-30-75(65)89)73-46-38-64(39-47-73)62-22-7-2-8-23-62/h1-60H
InChIKeyLHHDNWXJAHUMNU-UHFFFAOYSA-N
MW1281.66 g/mol
LogP27.98
Rot. Bonds12

About N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine

N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine (PubChem CID 138708136) has the molecular formula C94H60N2S2 and a molecular weight of 1281.66 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine
PubChem CID138708136
Molecular FormulaC94H60N2S2
Molecular Weight1281.66 g/mol
Exact Mass1280.42
IUPAC NameN-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5cc4-c4ccccc4)cc3)c3ccc4c5ccccc5c5cc(-c6ccc7c(c6)sc6cc(N(c8ccc(-c9ccccc9)cc8)c8cccc9ccccc89)c(-c8ccccc8)cc67)ccc5c4c3)cc2)cc1
InChIInChI=1S/C94H60N2S2/c1-5-20-61(21-6-1)63-36-44-71(45-37-63)95(72-48-40-68(41-49-72)83-59-93-87(80-33-17-18-35-91(80)97-93)57-82(83)66-24-9-3-10-25-66)74-50-53-78-76-31-15-16-32-77(76)85-54-69(42-51-79(85)86(78)56-74)70-43-52-81-88-58-84(67-26-11-4-12-27-67)90(60-94(88)98-92(81)55-70)96(89-34-19-29-65-28-13-14-30-75(65)89)73-46-38-64(39-47-73)62-22-7-2-8-23-62/h1-60H
InChIKeyLHHDNWXJAHUMNU-UHFFFAOYSA-N
XLogP27.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001281.66
LogP ≤ 527.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 129194290
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 135277607
3-N-dibenzothiophen-2-yl-1-N-naphthalen-1-yl-1-N-(4-naphthalen-1-ylphenyl)-3-N-[8-(9-phenylphenanthren-2-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 153243030
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170137061
2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine
CID 158092286
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264
4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 135277463
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501553
N-naphthalen-1-yl-N-phenyl-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-22-amine
CID 130465034
N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 135277605
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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine?
The IUPAC name of N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine (CID 138708136) is N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine?
The canonical SMILES for N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5cc4-c4ccccc4)cc3)c3ccc4c5ccccc5c5cc(-c6ccc7c(c6)sc6cc(N(c8ccc(-c9ccccc9)cc8)c8cccc9ccccc89)c(-c8ccccc8)cc67)ccc5c4c3)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine?
The InChIKey is LHHDNWXJAHUMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H60N2S2/c1-5-20-61(21-6-1)63-36-44-71(45-37-63)95(72-48-40-68(41-49-72)83-59-93-87(80-33-17-18-35-91(80)97-93)57-82(83)66-24-9-3-10-25-66)74-50-53-78-76-31-15-16-32-77(76)85-54-69(42-51-79(85)86(78)56-74)70-43-52-81-88-58-84(67-26-11-4-12-27-67)90(60-94(88)98-92(81)55-70)96(89-34-19-29-65-28-13-14-30-75(65)89)73-46-38-64(39-47-73)62-22-7-2-8-23-62/h1-60H.
What are the key properties of N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine?
N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine has a molecular weight of 1281.66 g/mol, XLogP of 27.98, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine is sourced from PubChem (CID 138708136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).