4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene

C108H73Cl7I2O2 — CID 158383232

IUPAC4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene
SMILESC=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)cccc1-c1ccccc1.Clc1ccc(-c2cc3ccccc3c3cccc(-c4ccccc4)c23)cc1.Clc1cccc(Cl)c1I.Ic1c(-c2ccccc2)cccc1-c1ccccc1.O=C(Cl)c1ccc(Cl)cc1.O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C26H17Cl.C26H19Cl.C25H17ClO.C18H13I.C7H4Cl2O.C6H3Cl2I/c27-21-15-13-19(14-16-21)25-17-20-9-4-5-10-22(20)24-12-6-11-23(26(24)25)18-7-2-1-3-8-18;1-19(20-15-17-23(27)18-16-20)26-24(21-9-4-2-5-10-21)13-8-14-25(26)22-11-6-3-7-12-22;26-21-16-14-20(15-17-21)25(27)24-22(18-8-3-1-4-9-18)12-7-13-23(24)19-10-5-2-6-11-19;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;8-6-3-1-5(2-4-6)7(9)10;7-4-2-1-3-5(8)6(4)9/h1-17H;2-18H,1H2;1-17H;1-13H;1-4H;1-3H
InChIKeyGWAZJYGBPZBUTL-UHFFFAOYSA-N
MW1904.75 g/mol
LogP34.56
Rot. Bonds13

About 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene

4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene (PubChem CID 158383232) has the molecular formula C108H73Cl7I2O2 and a molecular weight of 1904.75 g/mol. Its IUPAC name is 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene.

Molecular Properties

Compound Name4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene
PubChem CID158383232
Molecular FormulaC108H73Cl7I2O2
Molecular Weight1904.75 g/mol
Exact Mass1900.15
IUPAC Name4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene
SMILESC=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)cccc1-c1ccccc1.Clc1ccc(-c2cc3ccccc3c3cccc(-c4ccccc4)c23)cc1.Clc1cccc(Cl)c1I.Ic1c(-c2ccccc2)cccc1-c1ccccc1.O=C(Cl)c1ccc(Cl)cc1.O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C26H17Cl.C26H19Cl.C25H17ClO.C18H13I.C7H4Cl2O.C6H3Cl2I/c27-21-15-13-19(14-16-21)25-17-20-9-4-5-10-22(20)24-12-6-11-23(26(24)25)18-7-2-1-3-8-18;1-19(20-15-17-23(27)18-16-20)26-24(21-9-4-2-5-10-21)13-8-14-25(26)22-11-6-3-7-12-22;26-21-16-14-20(15-17-21)25(27)24-22(18-8-3-1-4-9-18)12-7-13-23(24)19-10-5-2-6-11-19;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;8-6-3-1-5(2-4-6)7(9)10;7-4-2-1-3-5(8)6(4)9/h1-17H;2-18H,1H2;1-17H;1-13H;1-4H;1-3H
InChIKeyGWAZJYGBPZBUTL-UHFFFAOYSA-N
XLogP34.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001904.75
LogP ≤ 534.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene with MolForge

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Related Compounds

(4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone
CID 53375503
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride
CID 87232900
9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene
CID 177274892
3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146631737
6-(4-tert-butylphenyl)-1-chloronaphtho[2,1-a]azulene
CID 175687132
20-(3-naphthalen-2-ylphenyl)-17-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 166019815
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
CID 10938449
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
(3-bromophenyl)-(4-phenanthren-9-ylphenyl)methanone
CID 87092225
(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone
CID 141434054
[2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone
CID 164674818

Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene?
The IUPAC name of 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene (CID 158383232) is 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene.
What is the SMILES notation for 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene?
The canonical SMILES for 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene is C=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)cccc1-c1ccccc1.Clc1ccc(-c2cc3ccccc3c3cccc(-c4ccccc4)c23)cc1.Clc1cccc(Cl)c1I.Ic1c(-c2ccccc2)cccc1-c1ccccc1.O=C(Cl)c1ccc(Cl)cc1.O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene?
The InChIKey is GWAZJYGBPZBUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl.C26H19Cl.C25H17ClO.C18H13I.C7H4Cl2O.C6H3Cl2I/c27-21-15-13-19(14-16-21)25-17-20-9-4-5-10-22(20)24-12-6-11-23(26(24)25)18-7-2-1-3-8-18;1-19(20-15-17-23(27)18-16-20)26-24(21-9-4-2-5-10-21)13-8-14-25(26)22-11-6-3-7-12-22;26-21-16-14-20(15-17-21)25(27)24-22(18-8-3-1-4-9-18)12-7-13-23(24)19-10-5-2-6-11-19;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;8-6-3-1-5(2-4-6)7(9)10;7-4-2-1-3-5(8)6(4)9/h1-17H;2-18H,1H2;1-17H;1-13H;1-4H;1-3H.
What are the key properties of 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene?
4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene has a molecular weight of 1904.75 g/mol, XLogP of 34.56, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene is sourced from PubChem (CID 158383232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).