N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine

C52H40N2S — CID 175632026

IUPACN-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C52H40N2S/c1-3-13-43(14-4-1)53(47-32-27-37-11-7-8-12-42(37)35-47)45-28-23-40(24-29-45)38-19-21-39(22-20-38)41-25-30-46(31-26-41)54(44-15-5-2-6-16-44)48-33-34-52-50(36-48)49-17-9-10-18-51(49)55-52/h1-6,9-10,13-36H,7-8,11-12H2
InChIKeySFUAKIDWOHYDJW-UHFFFAOYSA-N
MW724.97 g/mol
LogP15.21
Rot. Bonds8

About N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine

N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine (PubChem CID 175632026) has the molecular formula C52H40N2S and a molecular weight of 724.97 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
PubChem CID175632026
Molecular FormulaC52H40N2S
Molecular Weight724.97 g/mol
Exact Mass724.29
IUPAC NameN-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C52H40N2S/c1-3-13-43(14-4-1)53(47-32-27-37-11-7-8-12-42(37)35-47)45-28-23-40(24-29-45)38-19-21-39(22-20-38)41-25-30-46(31-26-41)54(44-15-5-2-6-16-44)48-33-34-52-50(36-48)49-17-9-10-18-51(49)55-52/h1-6,9-10,13-36H,7-8,11-12H2
InChIKeySFUAKIDWOHYDJW-UHFFFAOYSA-N
XLogP15.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.97
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine (CID 175632026) is N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine is c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine?
The InChIKey is SFUAKIDWOHYDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2S/c1-3-13-43(14-4-1)53(47-32-27-37-11-7-8-12-42(37)35-47)45-28-23-40(24-29-45)38-19-21-39(22-20-38)41-25-30-46(31-26-41)54(44-15-5-2-6-16-44)48-33-34-52-50(36-48)49-17-9-10-18-51(49)55-52/h1-6,9-10,13-36H,7-8,11-12H2.
What are the key properties of N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine?
N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine has a molecular weight of 724.97 g/mol, XLogP of 15.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 175632026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).