2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol

C40H34Cl2N2O2 — CID 20580064

IUPAC2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol
SMILESOCCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(CCO)c4)c(Cl)c3)cc2Cl)c1
InChIInChI=1S/C40H34Cl2N2O2/c41-37-27-31(17-19-39(37)43(33-11-3-1-4-12-33)35-15-7-9-29(25-35)21-23-45)32-18-20-40(38(42)28-32)44(34-13-5-2-6-14-34)36-16-8-10-30(26-36)22-24-46/h1-20,25-28,45-46H,21-24H2
InChIKeyPWSGGGIXCOTDKS-UHFFFAOYSA-N
MW645.63 g/mol
LogP10.67
Rot. Bonds11

About 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol

2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol (PubChem CID 20580064) has the molecular formula C40H34Cl2N2O2 and a molecular weight of 645.63 g/mol. Its IUPAC name is 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol
PubChem CID20580064
Molecular FormulaC40H34Cl2N2O2
Molecular Weight645.63 g/mol
Exact Mass644.20
IUPAC Name2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol
SMILESOCCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(CCO)c4)c(Cl)c3)cc2Cl)c1
InChIInChI=1S/C40H34Cl2N2O2/c41-37-27-31(17-19-39(37)43(33-11-3-1-4-12-33)35-15-7-9-29(25-35)21-23-45)32-18-20-40(38(42)28-32)44(34-13-5-2-6-14-34)36-16-8-10-30(26-36)22-24-46/h1-20,25-28,45-46H,21-24H2
InChIKeyPWSGGGIXCOTDKS-UHFFFAOYSA-N
XLogP10.67
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.63
LogP ≤ 510.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol with MolForge

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Related Compounds

2-[3-(N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580073
N-(3-ethylphenyl)-N,2,4-triphenylaniline
CID 20734354
2-[3-(dibutylamino)phenyl]ethanol
CID 101199746
2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol
CID 70214853
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
2-[3-(N-phenylanilino)phenyl]acetic acid
CID 170886645
2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol
CID 54265390
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 123790773
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
[4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid
CID 171410390
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol?
The IUPAC name of 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol (CID 20580064) is 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol.
What is the SMILES notation for 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol?
The canonical SMILES for 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol is OCCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(CCO)c4)c(Cl)c3)cc2Cl)c1.
What is the InChIKey of 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol?
The InChIKey is PWSGGGIXCOTDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34Cl2N2O2/c41-37-27-31(17-19-39(37)43(33-11-3-1-4-12-33)35-15-7-9-29(25-35)21-23-45)32-18-20-40(38(42)28-32)44(34-13-5-2-6-14-34)36-16-8-10-30(26-36)22-24-46/h1-20,25-28,45-46H,21-24H2.
What are the key properties of 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol?
2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol has a molecular weight of 645.63 g/mol, XLogP of 10.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-[2-chloro-4-[3-chloro-4-(N-[3-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol is sourced from PubChem (CID 20580064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).