N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine

C72H52N2S2 — CID 121323241

IUPACN-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine
SMILESCc1cc(-c2ccc(N(c3c(C)cccc3-c3cccc4c3sc3ccccc34)c3cccc4ccccc34)c(C)c2)ccc1N(c1c(C)cccc1-c1cccc2c1sc1ccccc12)c1cccc2ccccc12
InChIInChI=1S/C72H52N2S2/c1-45-19-13-29-57(61-33-17-31-59-55-27-9-11-37-67(55)75-71(59)61)69(45)73(65-35-15-23-49-21-5-7-25-53(49)65)63-41-39-51(43-47(63)3)52-40-42-64(48(4)44-52)74(66-36-16-24-50-22-6-8-26-54(50)66)70-46(2)20-14-30-58(70)62-34-18-32-60-56-28-10-12-38-68(56)76-72(60)62/h5-44H,1-4H3
InChIKeyBZIRYXGJCVPUHN-UHFFFAOYSA-N
MW1009.36 g/mol
LogP21.90
Rot. Bonds9

About N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine

N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine (PubChem CID 121323241) has the molecular formula C72H52N2S2 and a molecular weight of 1009.36 g/mol. Its IUPAC name is N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine
PubChem CID121323241
Molecular FormulaC72H52N2S2
Molecular Weight1009.36 g/mol
Exact Mass1008.36
IUPAC NameN-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine
SMILESCc1cc(-c2ccc(N(c3c(C)cccc3-c3cccc4c3sc3ccccc34)c3cccc4ccccc34)c(C)c2)ccc1N(c1c(C)cccc1-c1cccc2c1sc1ccccc12)c1cccc2ccccc12
InChIInChI=1S/C72H52N2S2/c1-45-19-13-29-57(61-33-17-31-59-55-27-9-11-37-67(55)75-71(59)61)69(45)73(65-35-15-23-49-21-5-7-25-53(49)65)63-41-39-51(43-47(63)3)52-40-42-64(48(4)44-52)74(66-36-16-24-50-22-6-8-26-54(50)66)70-46(2)20-14-30-58(70)62-34-18-32-60-56-28-10-12-38-68(56)76-72(60)62/h5-44H,1-4H3
InChIKeyBZIRYXGJCVPUHN-UHFFFAOYSA-N
XLogP21.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.36
LogP ≤ 521.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene
CID 144761421
N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine
CID 121323257
N-[4-[4-(N-dibenzofuran-2-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-2-amine;N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine;N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-yl-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)dibenzofuran-4-amine;2-dibenzothiophen-4-yl-N-[4-[4-(N-(2-dibenzothiophen-4-yl-6-methylphenyl)-4-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-naphthalen-1-ylphenyl)aniline;N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(N-(2-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-ylanilino)-3-methylphenyl]-2-methyl-N-(4-naphthalen-1-ylphenyl)aniline
CID 160808469
2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 121323094
2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121323372
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 167325325
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-(2-methyl-6-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-naphthalen-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121323106
N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 121323267
N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline
CID 157469979
N-(2-dibenzothiophen-2-ylphenyl)-4-[4-(N-(2-dibenzothiophen-2-ylphenyl)-4-naphthalen-1-ylanilino)-3-methylphenyl]-2-methyl-N-(4-naphthalen-1-ylphenyl)aniline
CID 121323365
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 122646680

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine (CID 121323241) is N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine is Cc1cc(-c2ccc(N(c3c(C)cccc3-c3cccc4c3sc3ccccc34)c3cccc4ccccc34)c(C)c2)ccc1N(c1c(C)cccc1-c1cccc2c1sc1ccccc12)c1cccc2ccccc12.
What is the InChIKey of N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine?
The InChIKey is BZIRYXGJCVPUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N2S2/c1-45-19-13-29-57(61-33-17-31-59-55-27-9-11-37-67(55)75-71(59)61)69(45)73(65-35-15-23-49-21-5-7-25-53(49)65)63-41-39-51(43-47(63)3)52-40-42-64(48(4)44-52)74(66-36-16-24-50-22-6-8-26-54(50)66)70-46(2)20-14-30-58(70)62-34-18-32-60-56-28-10-12-38-68(56)76-72(60)62/h5-44H,1-4H3.
What are the key properties of N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine?
N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine has a molecular weight of 1009.36 g/mol, XLogP of 21.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 121323241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).