7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine

C49H33ClN2S — CID 146551479

IUPAC7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine
SMILESClc1cc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c2)cc2c1-c1ccccc1C2
InChIInChI=1S/C49H33ClN2S/c50-46-32-42(29-36-27-35-13-10-11-22-43(35)49(36)46)52(39-19-8-3-9-20-39)40-21-12-14-33(28-40)34-23-25-44-45-31-41(24-26-47(45)53-48(44)30-34)51(37-15-4-1-5-16-37)38-17-6-2-7-18-38/h1-26,28-32H,27H2
InChIKeyKHSQLVVIHYXDOP-UHFFFAOYSA-N
MW717.34 g/mol
LogP14.89
Rot. Bonds7

About 7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine

7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine (PubChem CID 146551479) has the molecular formula C49H33ClN2S and a molecular weight of 717.34 g/mol. Its IUPAC name is 7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine.

Molecular Properties

Compound Name7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine
PubChem CID146551479
Molecular FormulaC49H33ClN2S
Molecular Weight717.34 g/mol
Exact Mass716.21
IUPAC Name7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine
SMILESClc1cc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c2)cc2c1-c1ccccc1C2
InChIInChI=1S/C49H33ClN2S/c50-46-32-42(29-36-27-35-13-10-11-22-43(35)49(36)46)52(39-19-8-3-9-20-39)40-21-12-14-33(28-40)34-23-25-44-45-31-41(24-26-47(45)53-48(44)30-34)51(37-15-4-1-5-16-37)38-17-6-2-7-18-38/h1-26,28-32H,27H2
InChIKeyKHSQLVVIHYXDOP-UHFFFAOYSA-N
XLogP14.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.34
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
3-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 90076169
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146551481
N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine
CID 146588785
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
7-N-(7H-benzo[c]fluoren-5-yl)-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 130327132
7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine
CID 160698351
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767046
N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine
CID 118214718
N-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159692895
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333

Frequently Asked Questions

What is the IUPAC name of 7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine?
The IUPAC name of 7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine (CID 146551479) is 7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine.
What is the SMILES notation for 7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine?
The canonical SMILES for 7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine is Clc1cc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c2)cc2c1-c1ccccc1C2.
What is the InChIKey of 7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine?
The InChIKey is KHSQLVVIHYXDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33ClN2S/c50-46-32-42(29-36-27-35-13-10-11-22-43(35)49(36)46)52(39-19-8-3-9-20-39)40-21-12-14-33(28-40)34-23-25-44-45-31-41(24-26-47(45)53-48(44)30-34)51(37-15-4-1-5-16-37)38-17-6-2-7-18-38/h1-26,28-32H,27H2.
What are the key properties of 7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine?
7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine has a molecular weight of 717.34 g/mol, XLogP of 14.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(N-(4-chloro-9H-fluoren-2-yl)anilino)phenyl]-N,N-diphenyldibenzothiophen-2-amine is sourced from PubChem (CID 146551479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).