N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine

C70H45NS2 — CID 88988857

IUPACN,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C70H45NS2/c1-3-15-46(16-4-1)52-43-53(47-17-5-2-6-18-47)45-54(44-52)48-29-31-49(32-30-48)57-41-42-66(61-20-8-7-19-60(57)61)71(55-37-33-50(34-38-55)58-23-13-25-64-62-21-9-11-27-67(62)72-69(58)64)56-39-35-51(36-40-56)59-24-14-26-65-63-22-10-12-28-68(63)73-70(59)65/h1-45H
InChIKeyRIVOZQWJYABGLP-UHFFFAOYSA-N
MW964.27 g/mol
LogP21.05
Rot. Bonds9

About N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine

N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 88988857) has the molecular formula C70H45NS2 and a molecular weight of 964.27 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
PubChem CID88988857
Molecular FormulaC70H45NS2
Molecular Weight964.27 g/mol
Exact Mass963.30
IUPAC NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C70H45NS2/c1-3-15-46(16-4-1)52-43-53(47-17-5-2-6-18-47)45-54(44-52)48-29-31-49(32-30-48)57-41-42-66(61-20-8-7-19-60(57)61)71(55-37-33-50(34-38-55)58-23-13-25-64-62-21-9-11-27-67(62)72-69(58)64)56-39-35-51(36-40-56)59-24-14-26-65-63-22-10-12-28-68(63)73-70(59)65/h1-45H
InChIKeyRIVOZQWJYABGLP-UHFFFAOYSA-N
XLogP21.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.27
LogP ≤ 521.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
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)-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 164831950
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]tetraphenylen-2-amine
CID 139297752
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434428
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine (CID 88988857) is N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccccc45)cc3)c2)cc1.
What is the InChIKey of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is RIVOZQWJYABGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45NS2/c1-3-15-46(16-4-1)52-43-53(47-17-5-2-6-18-47)45-54(44-52)48-29-31-49(32-30-48)57-41-42-66(61-20-8-7-19-60(57)61)71(55-37-33-50(34-38-55)58-23-13-25-64-62-21-9-11-27-67(62)72-69(58)64)56-39-35-51(36-40-56)59-24-14-26-65-63-22-10-12-28-68(63)73-70(59)65/h1-45H.
What are the key properties of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine?
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 964.27 g/mol, XLogP of 21.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 88988857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).