2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline

C162H132N8 — CID 159094402

IUPAC2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline
SMILESCc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(C)c(C)c5C)nc4c3n2)c(C)c1C.Cc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(C)cc5C)nc4c3n2)c(C)c1.Cc1cccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5cccc(C)c5C)nc4c3n2)c1C.Cc1cccc(C)c1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4c(C)cccc4C)nc3c2n1
InChIInChI=1S/C42H36N2.3C40H32N2/c1-25-17-19-33(29(5)27(25)3)39-23-37(31-13-9-7-10-14-31)35-21-22-36-38(32-15-11-8-12-16-32)24-40(44-42(36)41(35)43-39)34-20-18-26(2)28(4)30(34)6;1-25-13-11-19-31(27(25)3)37-23-35(29-15-7-5-8-16-29)33-21-22-34-36(30-17-9-6-10-18-30)24-38(42-40(34)39(33)41-37)32-20-12-14-26(2)28(32)4;1-25-13-11-14-26(2)37(25)35-23-33(29-17-7-5-8-18-29)31-21-22-32-34(30-19-9-6-10-20-30)24-36(42-40(32)39(31)41-35)38-27(3)15-12-16-28(38)4;1-25-15-17-31(27(3)21-25)37-23-35(29-11-7-5-8-12-29)33-19-20-34-36(30-13-9-6-10-14-30)24-38(42-40(34)39(33)41-37)32-18-16-26(2)22-28(32)4/h7-24H,1-6H3;3*5-24H,1-4H3
InChIKeyKCMBCWWXKBORAV-UHFFFAOYSA-N
MW2190.89 g/mol
LogP43.36
Rot. Bonds16

About 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline

2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline (PubChem CID 159094402) has the molecular formula C162H132N8 and a molecular weight of 2190.89 g/mol. Its IUPAC name is 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline
PubChem CID159094402
Molecular FormulaC162H132N8
Molecular Weight2190.89 g/mol
Exact Mass2189.06
IUPAC Name2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline
SMILESCc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(C)c(C)c5C)nc4c3n2)c(C)c1C.Cc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(C)cc5C)nc4c3n2)c(C)c1.Cc1cccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5cccc(C)c5C)nc4c3n2)c1C.Cc1cccc(C)c1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4c(C)cccc4C)nc3c2n1
InChIInChI=1S/C42H36N2.3C40H32N2/c1-25-17-19-33(29(5)27(25)3)39-23-37(31-13-9-7-10-14-31)35-21-22-36-38(32-15-11-8-12-16-32)24-40(44-42(36)41(35)43-39)34-20-18-26(2)28(4)30(34)6;1-25-13-11-19-31(27(25)3)37-23-35(29-15-7-5-8-16-29)33-21-22-34-36(30-17-9-6-10-18-30)24-38(42-40(34)39(33)41-37)32-20-12-14-26(2)28(32)4;1-25-13-11-14-26(2)37(25)35-23-33(29-17-7-5-8-18-29)31-21-22-32-34(30-19-9-6-10-20-30)24-36(42-40(32)39(31)41-35)38-27(3)15-12-16-28(38)4;1-25-15-17-31(27(3)21-25)37-23-35(29-11-7-5-8-12-29)33-19-20-34-36(30-13-9-6-10-14-30)24-38(42-40(34)39(33)41-37)32-18-16-26(2)22-28(32)4/h7-24H,1-6H3;3*5-24H,1-4H3
InChIKeyKCMBCWWXKBORAV-UHFFFAOYSA-N
XLogP43.36
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002190.89
LogP ≤ 543.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline with MolForge

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Related Compounds

2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 11375703
2,9-bis(2,5-dimethylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909605
2,9-bis(2,4-dimethyl-3-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethyl-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,5-dimethyl-3-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 159607022
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123
2,9-bis(3-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405079
2-[2,5-dimethyl-4-(9-methyl-4,7-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-9-methyl-4,7-diphenyl-1,10-phenanthroline
CID 59736414
2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
CID 86102330
4,7-diphenyl-2,9-bis(3,4,5-trimethylphenyl)-1,10-phenanthroline
CID 22972089
1-[4-(2,3-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 144502475
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
2,9-bis(5-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405085
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline?
The IUPAC name of 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline (CID 159094402) is 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline is Cc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(C)c(C)c5C)nc4c3n2)c(C)c1C.Cc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(C)cc5C)nc4c3n2)c(C)c1.Cc1cccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5cccc(C)c5C)nc4c3n2)c1C.Cc1cccc(C)c1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4c(C)cccc4C)nc3c2n1.
What is the InChIKey of 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline?
The InChIKey is KCMBCWWXKBORAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2.3C40H32N2/c1-25-17-19-33(29(5)27(25)3)39-23-37(31-13-9-7-10-14-31)35-21-22-36-38(32-15-11-8-12-16-32)24-40(44-42(36)41(35)43-39)34-20-18-26(2)28(4)30(34)6;1-25-13-11-19-31(27(25)3)37-23-35(29-15-7-5-8-16-29)33-21-22-34-36(30-17-9-6-10-18-30)24-38(42-40(34)39(33)41-37)32-20-12-14-26(2)28(32)4;1-25-13-11-14-26(2)37(25)35-23-33(29-17-7-5-8-18-29)31-21-22-32-34(30-19-9-6-10-20-30)24-36(42-40(32)39(31)41-35)38-27(3)15-12-16-28(38)4;1-25-15-17-31(27(3)21-25)37-23-35(29-11-7-5-8-12-29)33-19-20-34-36(30-13-9-6-10-14-30)24-38(42-40(34)39(33)41-37)32-18-16-26(2)22-28(32)4/h7-24H,1-6H3;3*5-24H,1-4H3.
What are the key properties of 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline?
2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline has a molecular weight of 2190.89 g/mol, XLogP of 43.36, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 159094402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).