1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene

C30H18Cl2 — CID 134977772

IUPAC1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene
SMILESClc1ccc(C(=C=C=C=C=C(c2ccccc2)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H18Cl2/c31-27-19-15-25(16-20-27)29(23-9-3-1-4-10-23)13-7-8-14-30(24-11-5-2-6-12-24)26-17-21-28(32)22-18-26/h1-6,9-12,15-22H
InChIKeyHGIOGQRMKKSKOL-UHFFFAOYSA-N
MW449.38 g/mol
LogP8.62
Rot. Bonds4

About 1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene

1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene (PubChem CID 134977772) has the molecular formula C30H18Cl2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene
PubChem CID134977772
Molecular FormulaC30H18Cl2
Molecular Weight449.38 g/mol
Exact Mass448.08
IUPAC Name1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene
SMILESClc1ccc(C(=C=C=C=C=C(c2ccccc2)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H18Cl2/c31-27-19-15-25(16-20-27)29(23-9-3-1-4-10-23)13-7-8-14-30(24-11-5-2-6-12-24)26-17-21-28(32)22-18-26/h1-6,9-12,15-22H
InChIKeyHGIOGQRMKKSKOL-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene
CID 6509575
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
CID 10801751
CID 10801751
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
benzene;chlorobenzene
CID 159657667
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
chlorobenzene;methanol
CID 20549646
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)-3-phenylprop-2-enenitrile
CID 154089927
1-(4-chlorophenyl)-2,5-diphenylpentane-1,3,5-trione
CID 11839356

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene?
The IUPAC name of 1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene (CID 134977772) is 1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene.
What is the SMILES notation for 1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene?
The canonical SMILES for 1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene is Clc1ccc(C(=C=C=C=C=C(c2ccccc2)c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene?
The InChIKey is HGIOGQRMKKSKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Cl2/c31-27-19-15-25(16-20-27)29(23-9-3-1-4-10-23)13-7-8-14-30(24-11-5-2-6-12-24)26-17-21-28(32)22-18-26/h1-6,9-12,15-22H.
What are the key properties of 1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene?
1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene has a molecular weight of 449.38 g/mol, XLogP of 8.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene is sourced from PubChem (CID 134977772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).