N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline

C108H68N2S2 — CID 170137054

IUPACN-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3cccc(-c4cccc5sc6c(-c7cccc(-c8ccc(N(c9ccc(-c%10cc%11c%12ccccc%12ccc%11c%11ccccc%10%11)cc9)c9ccc(-c%10cccc%11c%10sc%10ccccc%10%11)cc9)cc8)c7)cccc6c45)c3)cc2)cc1
InChIInChI=1S/C108H68N2S2/c1-2-19-69(20-3-1)70-41-53-83(54-42-70)110(84-61-49-76(50-62-84)101-68-103-87-28-7-5-22-73(87)52-64-96(103)92-30-9-11-32-94(92)101)85-26-15-25-79(66-85)88-34-18-40-105-106(88)99-38-17-36-90(108(99)112-105)78-24-14-23-77(65-78)71-43-55-80(56-44-71)109(81-57-45-74(46-58-81)89-35-16-37-98-97-33-12-13-39-104(97)111-107(89)98)82-59-47-75(48-60-82)100-67-102-86-27-6-4-21-72(86)51-63-95(102)91-29-8-10-31-93(91)100/h1-68H
InChIKeyPKMWTXCHNVXYGX-UHFFFAOYSA-N
MW1457.88 g/mol
LogP31.95
Rot. Bonds13

About N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline

N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline (PubChem CID 170137054) has the molecular formula C108H68N2S2 and a molecular weight of 1457.88 g/mol. Its IUPAC name is N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline
PubChem CID170137054
Molecular FormulaC108H68N2S2
Molecular Weight1457.88 g/mol
Exact Mass1456.48
IUPAC NameN-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3cccc(-c4cccc5sc6c(-c7cccc(-c8ccc(N(c9ccc(-c%10cc%11c%12ccccc%12ccc%11c%11ccccc%10%11)cc9)c9ccc(-c%10cccc%11c%10sc%10ccccc%10%11)cc9)cc8)c7)cccc6c45)c3)cc2)cc1
InChIInChI=1S/C108H68N2S2/c1-2-19-69(20-3-1)70-41-53-83(54-42-70)110(84-61-49-76(50-62-84)101-68-103-87-28-7-5-22-73(87)52-64-96(103)92-30-9-11-32-94(92)101)85-26-15-25-79(66-85)88-34-18-40-105-106(88)99-38-17-36-90(108(99)112-105)78-24-14-23-77(65-78)71-43-55-80(56-44-71)109(81-57-45-74(46-58-81)89-35-16-37-98-97-33-12-13-39-104(97)111-107(89)98)82-59-47-75(48-60-82)100-67-102-86-27-6-4-21-72(86)51-63-95(102)91-29-8-10-31-93(91)100/h1-68H
InChIKeyPKMWTXCHNVXYGX-UHFFFAOYSA-N
XLogP31.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001457.88
LogP ≤ 531.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170137061
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392432
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063761
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
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)-N-(4-phenanthren-2-ylphenyl)-2,4-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 157248341
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
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-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline (CID 170137054) is N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3cccc(-c4cccc5sc6c(-c7cccc(-c8ccc(N(c9ccc(-c%10cc%11c%12ccccc%12ccc%11c%11ccccc%10%11)cc9)c9ccc(-c%10cccc%11c%10sc%10ccccc%10%11)cc9)cc8)c7)cccc6c45)c3)cc2)cc1.
What is the InChIKey of N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline?
The InChIKey is PKMWTXCHNVXYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H68N2S2/c1-2-19-69(20-3-1)70-41-53-83(54-42-70)110(84-61-49-76(50-62-84)101-68-103-87-28-7-5-22-73(87)52-64-96(103)92-30-9-11-32-94(92)101)85-26-15-25-79(66-85)88-34-18-40-105-106(88)99-38-17-36-90(108(99)112-105)78-24-14-23-77(65-78)71-43-55-80(56-44-71)109(81-57-45-74(46-58-81)89-35-16-37-98-97-33-12-13-39-104(97)111-107(89)98)82-59-47-75(48-60-82)100-67-102-86-27-6-4-21-72(86)51-63-95(102)91-29-8-10-31-93(91)100/h1-68H.
What are the key properties of N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline?
N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 1457.88 g/mol, XLogP of 31.95, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170137054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).