3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline

C40H25N9 — CID 132510188

IUPAC3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline
SMILESCn1c(-c2ccc3[nH]c4ccc(-c5nc6c7cccnc7c7ncccc7c6n5C)cc4c3c2)nc2c3cccnc3c3ncccc3c21
InChIInChI=1S/C40H25N9/c1-48-37-25-9-5-17-43-33(25)31-23(7-3-15-41-31)35(37)46-39(48)21-11-13-29-27(19-21)28-20-22(12-14-30(28)45-29)40-47-36-24-8-4-16-42-32(24)34-26(10-6-18-44-34)38(36)49(40)2/h3-20,45H,1-2H3
InChIKeyOHWYPOVETRVYMS-UHFFFAOYSA-N
MW631.70 g/mol
LogP8.62
Rot. Bonds2

About 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline

3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline (PubChem CID 132510188) has the molecular formula C40H25N9 and a molecular weight of 631.70 g/mol. Its IUPAC name is 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline
PubChem CID132510188
Molecular FormulaC40H25N9
Molecular Weight631.70 g/mol
Exact Mass631.22
IUPAC Name3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline
SMILESCn1c(-c2ccc3[nH]c4ccc(-c5nc6c7cccnc7c7ncccc7c6n5C)cc4c3c2)nc2c3cccnc3c3ncccc3c21
InChIInChI=1S/C40H25N9/c1-48-37-25-9-5-17-43-33(25)31-23(7-3-15-41-31)35(37)46-39(48)21-11-13-29-27(19-21)28-20-22(12-14-30(28)45-29)40-47-36-24-8-4-16-42-32(24)34-26(10-6-18-44-34)38(36)49(40)2/h3-20,45H,1-2H3
InChIKeyOHWYPOVETRVYMS-UHFFFAOYSA-N
XLogP8.62
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.70
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline with MolForge

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Related Compounds

2-anthracen-9-yl-3-methylimidazo[4,5-f][1,10]phenanthroline
CID 58995814
5-methyl-7H-pyrido[2,3-c]carbazole
CID 10331503
3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole
CID 102360871
6-(2-pyridin-2-ylphenyl)-9H-pyrido[2,3-b]indole
CID 163984381
N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane
CID 145089608
4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine
CID 70911517
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
2-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-3-(3,5-dimethylphenyl)imidazo[4,5-f][1,10]phenanthroline
CID 102529074
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
3,6-dinaphthalen-2-yl-9H-carbazole
CID 86019382
5-methyl-8-phenylpyrido[3,2-b]indole
CID 118000252
1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one
CID 10059064

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline (CID 132510188) is 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline is Cn1c(-c2ccc3[nH]c4ccc(-c5nc6c7cccnc7c7ncccc7c6n5C)cc4c3c2)nc2c3cccnc3c3ncccc3c21.
What is the InChIKey of 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is OHWYPOVETRVYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N9/c1-48-37-25-9-5-17-43-33(25)31-23(7-3-15-41-31)35(37)46-39(48)21-11-13-29-27(19-21)28-20-22(12-14-30(28)45-29)40-47-36-24-8-4-16-42-32(24)34-26(10-6-18-44-34)38(36)49(40)2/h3-20,45H,1-2H3.
What are the key properties of 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline?
3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 631.70 g/mol, XLogP of 8.62, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 132510188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).