2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene

C123H82BBrCl8N6O5P+ — CID 157076934

IUPAC2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene
SMILESCc1ccccc1C.Clc1ccc2c(-c3nc4ccccc4[nH]3)c(-c3ccccc3Cl)ccc2c1.Clc1ccc2c(ccc3c4ccccc4n4c5ccccc5nc4c23)c1.Clc1ccc2c(ccc3c4ccccc4n4c5ccccc5nc4c23)c1.O=Cc1c(-c2ccccc2Cl)ccc2cc(Cl)ccc12.O=Cc1c(Br)ccc2cc(Cl)ccc12.O=[P+](c1ccccc1)c1ccccc1.OB(O)c1ccccc1Cl
InChIInChI=1S/C23H14Cl2N2.2C23H13ClN2.C17H10Cl2O.C12H10OP.C11H6BrClO.C8H10.C6H6BClO2/c24-15-10-12-16-14(13-15)9-11-18(17-5-1-2-6-19(17)25)22(16)23-26-20-7-3-4-8-21(20)27-23;2*24-15-10-12-16-14(13-15)9-11-18-17-5-1-3-7-20(17)26-21-8-4-2-6-19(21)25-23(26)22(16)18;18-12-6-8-13-11(9-12)5-7-14(16(13)10-20)15-3-1-2-4-17(15)19;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;12-11-4-1-7-5-8(13)2-3-9(7)10(11)6-14;1-7-5-3-4-6-8(7)2;8-6-4-2-1-3-5(6)7(9)10/h1-13H,(H,26,27);2*1-13H;1-10H;1-10H;1-6H;3-6H,1-2H3;1-4,9-10H/q;;;;+1;;;
InChIKeyGXJIUHFMJBEPNL-UHFFFAOYSA-N
MW2129.36 g/mol
LogP35.04
Rot. Bonds8

About 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene

2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene (PubChem CID 157076934) has the molecular formula C123H82BBrCl8N6O5P+ and a molecular weight of 2129.36 g/mol. Its IUPAC name is 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene.

Molecular Properties

Compound Name2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene
PubChem CID157076934
Molecular FormulaC123H82BBrCl8N6O5P+
Molecular Weight2129.36 g/mol
Exact Mass2123.29
IUPAC Name2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene
SMILESCc1ccccc1C.Clc1ccc2c(-c3nc4ccccc4[nH]3)c(-c3ccccc3Cl)ccc2c1.Clc1ccc2c(ccc3c4ccccc4n4c5ccccc5nc4c23)c1.Clc1ccc2c(ccc3c4ccccc4n4c5ccccc5nc4c23)c1.O=Cc1c(-c2ccccc2Cl)ccc2cc(Cl)ccc12.O=Cc1c(Br)ccc2cc(Cl)ccc12.O=[P+](c1ccccc1)c1ccccc1.OB(O)c1ccccc1Cl
InChIInChI=1S/C23H14Cl2N2.2C23H13ClN2.C17H10Cl2O.C12H10OP.C11H6BrClO.C8H10.C6H6BClO2/c24-15-10-12-16-14(13-15)9-11-18(17-5-1-2-6-19(17)25)22(16)23-26-20-7-3-4-8-21(20)27-23;2*24-15-10-12-16-14(13-15)9-11-18-17-5-1-3-7-20(17)26-21-8-4-2-6-19(21)25-23(26)22(16)18;18-12-6-8-13-11(9-12)5-7-14(16(13)10-20)15-3-1-2-4-17(15)19;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;12-11-4-1-7-5-8(13)2-3-9(7)10(11)6-14;1-7-5-3-4-6-8(7)2;8-6-4-2-1-3-5(6)7(9)10/h1-13H,(H,26,27);2*1-13H;1-10H;1-10H;1-6H;3-6H,1-2H3;1-4,9-10H/q;;;;+1;;;
InChIKeyGXJIUHFMJBEPNL-UHFFFAOYSA-N
XLogP35.04
TPSA154.95 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002129.36
LogP ≤ 535.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene?
The IUPAC name of 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene (CID 157076934) is 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene.
What is the SMILES notation for 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene?
The canonical SMILES for 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene is Cc1ccccc1C.Clc1ccc2c(-c3nc4ccccc4[nH]3)c(-c3ccccc3Cl)ccc2c1.Clc1ccc2c(ccc3c4ccccc4n4c5ccccc5nc4c23)c1.Clc1ccc2c(ccc3c4ccccc4n4c5ccccc5nc4c23)c1.O=Cc1c(-c2ccccc2Cl)ccc2cc(Cl)ccc12.O=Cc1c(Br)ccc2cc(Cl)ccc12.O=[P+](c1ccccc1)c1ccccc1.OB(O)c1ccccc1Cl.
What is the InChIKey of 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene?
The InChIKey is GXJIUHFMJBEPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N2.2C23H13ClN2.C17H10Cl2O.C12H10OP.C11H6BrClO.C8H10.C6H6BClO2/c24-15-10-12-16-14(13-15)9-11-18(17-5-1-2-6-19(17)25)22(16)23-26-20-7-3-4-8-21(20)27-23;2*24-15-10-12-16-14(13-15)9-11-18-17-5-1-3-7-20(17)26-21-8-4-2-6-19(21)25-23(26)22(16)18;18-12-6-8-13-11(9-12)5-7-14(16(13)10-20)15-3-1-2-4-17(15)19;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;12-11-4-1-7-5-8(13)2-3-9(7)10(11)6-14;1-7-5-3-4-6-8(7)2;8-6-4-2-1-3-5(6)7(9)10/h1-13H,(H,26,27);2*1-13H;1-10H;1-10H;1-6H;3-6H,1-2H3;1-4,9-10H/q;;;;+1;;;.
What are the key properties of 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene?
2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene has a molecular weight of 2129.36 g/mol, XLogP of 35.04, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloronaphthalene-1-carbaldehyde;6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde;2-[6-chloro-2-(2-chlorophenyl)naphthalen-1-yl]-1H-benzimidazole;bis(22-chloro-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20(25),21,23-dodecaene);(2-chlorophenyl)boronic acid;oxo(diphenyl)phosphanium;1,2-xylene is sourced from PubChem (CID 157076934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).