N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline

C90H60N2S — CID 167087066

IUPACN-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c(c5)sc5c(-c7ccccc7)cccc56)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C90H60N2S/c1-3-20-64(21-4-1)78-57-58-79(82-29-12-11-28-81(78)82)68-45-54-75(55-46-68)92(74-52-43-67(44-53-74)77-32-17-26-65-24-9-10-27-76(65)77)88-36-16-14-31-84(88)83-30-13-15-35-87(83)91(72-48-39-62(40-49-72)70-38-37-61-19-7-8-25-69(61)59-70)73-50-41-63(42-51-73)71-47-56-85-86-34-18-33-80(66-22-5-2-6-23-66)90(86)93-89(85)60-71/h1-60H
InChIKeyBWEIMDOUQSEOON-UHFFFAOYSA-N
MW1201.55 g/mol
LogP26.12
Rot. Bonds13

About N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline

N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline (PubChem CID 167087066) has the molecular formula C90H60N2S and a molecular weight of 1201.55 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline
PubChem CID167087066
Molecular FormulaC90H60N2S
Molecular Weight1201.55 g/mol
Exact Mass1200.45
IUPAC NameN-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c(c5)sc5c(-c7ccccc7)cccc56)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C90H60N2S/c1-3-20-64(21-4-1)78-57-58-79(82-29-12-11-28-81(78)82)68-45-54-75(55-46-68)92(74-52-43-67(44-53-74)77-32-17-26-65-24-9-10-27-76(65)77)88-36-16-14-31-84(88)83-30-13-15-35-87(83)91(72-48-39-62(40-49-72)70-38-37-61-19-7-8-25-69(61)59-70)73-50-41-63(42-51-73)71-47-56-85-86-34-18-33-80(66-22-5-2-6-23-66)90(86)93-89(85)60-71/h1-60H
InChIKeyBWEIMDOUQSEOON-UHFFFAOYSA-N
XLogP26.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.55
LogP ≤ 526.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline with MolForge

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Related Compounds

2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324943
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
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
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767231
N-(3-dibenzothiophen-4-ylphenyl)-5-naphthalen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167234902
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine
CID 167396397
N-(4-phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
CID 167396822
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline
CID 164831984

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline (CID 167087066) is N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c(c5)sc5c(-c7ccccc7)cccc56)cc4)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline?
The InChIKey is BWEIMDOUQSEOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60N2S/c1-3-20-64(21-4-1)78-57-58-79(82-29-12-11-28-81(78)82)68-45-54-75(55-46-68)92(74-52-43-67(44-53-74)77-32-17-26-65-24-9-10-27-76(65)77)88-36-16-14-31-84(88)83-30-13-15-35-87(83)91(72-48-39-62(40-49-72)70-38-37-61-19-7-8-25-69(61)59-70)73-50-41-63(42-51-73)71-47-56-85-86-34-18-33-80(66-22-5-2-6-23-66)90(86)93-89(85)60-71/h1-60H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline?
N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline has a molecular weight of 1201.55 g/mol, XLogP of 26.12, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline is sourced from PubChem (CID 167087066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).