N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine

C52H34N2S2 — CID 71126719

IUPACN-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c4ccccc34)cc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C52H34N2S2/c1-3-13-36(14-4-1)53(39-27-31-51-46(33-39)44-19-9-11-21-49(44)55-51)38-25-23-35(24-26-38)41-29-30-48(43-18-8-7-17-42(41)43)54(37-15-5-2-6-16-37)40-28-32-52-47(34-40)45-20-10-12-22-50(45)56-52/h1-34H
InChIKeyCLRUPMIZZSKNRL-UHFFFAOYSA-N
MW750.99 g/mol
LogP16.18
Rot. Bonds7

About N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine

N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine (PubChem CID 71126719) has the molecular formula C52H34N2S2 and a molecular weight of 750.99 g/mol. Its IUPAC name is N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
PubChem CID71126719
Molecular FormulaC52H34N2S2
Molecular Weight750.99 g/mol
Exact Mass750.22
IUPAC NameN-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c4ccccc34)cc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C52H34N2S2/c1-3-13-36(14-4-1)53(39-27-31-51-46(33-39)44-19-9-11-21-49(44)55-51)38-25-23-35(24-26-38)41-29-30-48(43-18-8-7-17-42(41)43)54(37-15-5-2-6-16-37)40-28-32-52-47(34-40)45-20-10-12-22-50(45)56-52/h1-34H
InChIKeyCLRUPMIZZSKNRL-UHFFFAOYSA-N
XLogP16.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.99
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine
CID 129085320
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine
CID 171435230
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 155122803
3-N-dibenzothiophen-2-yl-2-N,3-N-diphenyl-2-N-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzothiole-2,3-diamine
CID 166856566
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[4-[6-[4-(N-dibenzothiophen-2-yl-2,4-diphenylanilino)phenyl]pyren-1-yl]phenyl]-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 118012272
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 146588762
1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 165046461

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine (CID 71126719) is N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c4ccccc34)cc2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
The InChIKey is CLRUPMIZZSKNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S2/c1-3-13-36(14-4-1)53(39-27-31-51-46(33-39)44-19-9-11-21-49(44)55-51)38-25-23-35(24-26-38)41-29-30-48(43-18-8-7-17-42(41)43)54(37-15-5-2-6-16-37)40-28-32-52-47(34-40)45-20-10-12-22-50(45)56-52/h1-34H.
What are the key properties of N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine has a molecular weight of 750.99 g/mol, XLogP of 16.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 71126719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).