1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline

C44H34N4 — CID 143424069

IUPAC1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline
SMILESCN1c2c(ccc3ccc(-c4cccc(-c5ccc6ccc7c(c6n5)N(C)C(c5ccccc5)C=C7)c4)nc23)C=CC1c1ccccc1
InChIInChI=1S/C44H34N4/c1-47-39(29-10-5-3-6-11-29)26-22-33-18-16-31-20-24-37(45-41(31)43(33)47)35-14-9-15-36(28-35)38-25-21-32-17-19-34-23-27-40(30-12-7-4-8-13-30)48(2)44(34)42(32)46-38/h3-28,39-40H,1-2H3
InChIKeyLYOWWEUIUBUAKL-UHFFFAOYSA-N
MW618.78 g/mol
LogP10.53
Rot. Bonds4

About 1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline

1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline (PubChem CID 143424069) has the molecular formula C44H34N4 and a molecular weight of 618.78 g/mol. Its IUPAC name is 1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline.

Molecular Properties

Compound Name1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline
PubChem CID143424069
Molecular FormulaC44H34N4
Molecular Weight618.78 g/mol
Exact Mass618.28
IUPAC Name1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline
SMILESCN1c2c(ccc3ccc(-c4cccc(-c5ccc6ccc7c(c6n5)N(C)C(c5ccccc5)C=C7)c4)nc23)C=CC1c1ccccc1
InChIInChI=1S/C44H34N4/c1-47-39(29-10-5-3-6-11-29)26-22-33-18-16-31-20-24-37(45-41(31)43(33)47)35-14-9-15-36(28-35)38-25-21-32-17-19-34-23-27-40(30-12-7-4-8-13-30)48(2)44(34)42(32)46-38/h3-28,39-40H,1-2H3
InChIKeyLYOWWEUIUBUAKL-UHFFFAOYSA-N
XLogP10.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
2-phenyl-9-[3-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 138725055
2-phenyl-9-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-1,10-phenanthroline
CID 138725062
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline
CID 172757238
9-[3-(9,9-dimethylthioxanthen-1-yl)phenyl]-2-phenyl-1,2-dihydro-1,10-phenanthroline
CID 166908535
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 165103178
2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline
CID 59010486
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline?
The IUPAC name of 1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline (CID 143424069) is 1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline.
What is the SMILES notation for 1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline?
The canonical SMILES for 1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline is CN1c2c(ccc3ccc(-c4cccc(-c5ccc6ccc7c(c6n5)N(C)C(c5ccccc5)C=C7)c4)nc23)C=CC1c1ccccc1.
What is the InChIKey of 1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline?
The InChIKey is LYOWWEUIUBUAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4/c1-47-39(29-10-5-3-6-11-29)26-22-33-18-16-31-20-24-37(45-41(31)43(33)47)35-14-9-15-36(28-35)38-25-21-32-17-19-34-23-27-40(30-12-7-4-8-13-30)48(2)44(34)42(32)46-38/h3-28,39-40H,1-2H3.
What are the key properties of 1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline?
1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline has a molecular weight of 618.78 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[3-(10-methyl-9-phenyl-9H-1,10-phenanthrolin-2-yl)phenyl]-2-phenyl-2H-1,10-phenanthroline is sourced from PubChem (CID 143424069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).