10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline

C60H44Cl4N4O2 — CID 139200178

IUPAC10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline
SMILESCCOc1cc(-c2ccc(Cl)cc2)c2c(n1)-c1c(nc3ccc(Cl)cc3c1-c1ccccc1)CC2.CCOc1cc(-c2ccc(Cl)cc2)c2c(n1)-c1c(nc3ccc(Cl)cc3c1-c1ccccc1)CC2
InChIInChI=1S/2C30H22Cl2N2O/c2*1-2-35-27-17-23(18-8-10-20(31)11-9-18)22-13-15-26-29(30(22)34-27)28(19-6-4-3-5-7-19)24-16-21(32)12-14-25(24)33-26/h2*3-12,14,16-17H,2,13,15H2,1H3
InChIKeyDTELZMWJXRMQQQ-UHFFFAOYSA-N
MW994.85 g/mol
LogP16.87
Rot. Bonds8

About 10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline

10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline (PubChem CID 139200178) has the molecular formula C60H44Cl4N4O2 and a molecular weight of 994.85 g/mol. Its IUPAC name is 10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline.

Molecular Properties

Compound Name10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline
PubChem CID139200178
Molecular FormulaC60H44Cl4N4O2
Molecular Weight994.85 g/mol
Exact Mass992.22
IUPAC Name10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline
SMILESCCOc1cc(-c2ccc(Cl)cc2)c2c(n1)-c1c(nc3ccc(Cl)cc3c1-c1ccccc1)CC2.CCOc1cc(-c2ccc(Cl)cc2)c2c(n1)-c1c(nc3ccc(Cl)cc3c1-c1ccccc1)CC2
InChIInChI=1S/2C30H22Cl2N2O/c2*1-2-35-27-17-23(18-8-10-20(31)11-9-18)22-13-15-26-29(30(22)34-27)28(19-6-4-3-5-7-19)24-16-21(32)12-14-25(24)33-26/h2*3-12,14,16-17H,2,13,15H2,1H3
InChIKeyDTELZMWJXRMQQQ-UHFFFAOYSA-N
XLogP16.87
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.85
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 154710038
(2Z)-7-chloro-2-[(4-chlorophenyl)methylidene]-9-phenyl-3,4-dihydroacridin-1-one
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ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone
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ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate
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Frequently Asked Questions

What is the IUPAC name of 10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline?
The IUPAC name of 10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline (CID 139200178) is 10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline.
What is the SMILES notation for 10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline?
The canonical SMILES for 10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline is CCOc1cc(-c2ccc(Cl)cc2)c2c(n1)-c1c(nc3ccc(Cl)cc3c1-c1ccccc1)CC2.CCOc1cc(-c2ccc(Cl)cc2)c2c(n1)-c1c(nc3ccc(Cl)cc3c1-c1ccccc1)CC2.
What is the InChIKey of 10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline?
The InChIKey is DTELZMWJXRMQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H22Cl2N2O/c2*1-2-35-27-17-23(18-8-10-20(31)11-9-18)22-13-15-26-29(30(22)34-27)28(19-6-4-3-5-7-19)24-16-21(32)12-14-25(24)33-26/h2*3-12,14,16-17H,2,13,15H2,1H3.
What are the key properties of 10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline?
10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline has a molecular weight of 994.85 g/mol, XLogP of 16.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline is sourced from PubChem (CID 139200178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).