7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine

C70H47N3S2 — CID 129194290

IUPAC7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7sc8cc(N(c9ccccc9)c9cccc%10ccccc9%10)ccc8c7c6)cc5)cc4)cc23)cc1
InChIInChI=1S/C70H47N3S2/c1-5-18-53(19-6-1)71(54-20-7-2-8-21-54)59-37-40-62-64-44-52(34-42-67(64)74-69(62)46-59)50-30-28-48(29-31-50)49-32-35-57(36-33-49)72(55-22-9-3-10-23-55)58-39-43-68-65(45-58)63-41-38-60(47-70(63)75-68)73(56-24-11-4-12-25-56)66-27-15-17-51-16-13-14-26-61(51)66/h1-47H
InChIKeyXDBOUHWROWOQCA-UHFFFAOYSA-N
MW994.30 g/mol
LogP21.32
Rot. Bonds11

About 7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine

7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine (PubChem CID 129194290) has the molecular formula C70H47N3S2 and a molecular weight of 994.30 g/mol. Its IUPAC name is 7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
PubChem CID129194290
Molecular FormulaC70H47N3S2
Molecular Weight994.30 g/mol
Exact Mass993.32
IUPAC Name7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7sc8cc(N(c9ccccc9)c9cccc%10ccccc9%10)ccc8c7c6)cc5)cc4)cc23)cc1
InChIInChI=1S/C70H47N3S2/c1-5-18-53(19-6-1)71(54-20-7-2-8-21-54)59-37-40-62-64-44-52(34-42-67(64)74-69(62)46-59)50-30-28-48(29-31-50)49-32-35-57(36-33-49)72(55-22-9-3-10-23-55)58-39-43-68-65(45-58)63-41-38-60(47-70(63)75-68)73(56-24-11-4-12-25-56)66-27-15-17-51-16-13-14-26-61(51)66/h1-47H
InChIKeyXDBOUHWROWOQCA-UHFFFAOYSA-N
XLogP21.32
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.30
LogP ≤ 521.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264
2-N-dibenzothiophen-1-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-naphthalen-1-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159090908
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 118405930
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,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 167182893
N-[3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177100484
N,4-diphenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]aniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 160840517
N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 159845485

Frequently Asked Questions

What is the IUPAC name of 7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine (CID 129194290) is 7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7sc8cc(N(c9ccccc9)c9cccc%10ccccc9%10)ccc8c7c6)cc5)cc4)cc23)cc1.
What is the InChIKey of 7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine?
The InChIKey is XDBOUHWROWOQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N3S2/c1-5-18-53(19-6-1)71(54-20-7-2-8-21-54)59-37-40-62-64-44-52(34-42-67(64)74-69(62)46-59)50-30-28-48(29-31-50)49-32-35-57(36-33-49)72(55-22-9-3-10-23-55)58-39-43-68-65(45-58)63-41-38-60(47-70(63)75-68)73(56-24-11-4-12-25-56)66-27-15-17-51-16-13-14-26-61(51)66/h1-47H.
What are the key properties of 7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine?
7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine has a molecular weight of 994.30 g/mol, XLogP of 21.32, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine is sourced from PubChem (CID 129194290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).