3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine

C43H35N5 — CID 140593345

IUPAC3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine
SMILESCc1cccc(C)c1-c1cnc2c3cc(N(c4ccccc4)c4cccc(N5CN(C)c6ccccc65)c4)ccc3c3ccccc3n12
InChIInChI=1S/C43H35N5/c1-29-13-11-14-30(2)42(29)41-27-44-43-37-26-34(23-24-35(37)36-19-7-8-20-38(36)48(41)43)47(31-15-5-4-6-16-31)33-18-12-17-32(25-33)46-28-45(3)39-21-9-10-22-40(39)46/h4-27H,28H2,1-3H3
InChIKeyMGOHTMXCSVVQOL-UHFFFAOYSA-N
MW621.79 g/mol
LogP10.94
Rot. Bonds5

About 3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine

3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine (PubChem CID 140593345) has the molecular formula C43H35N5 and a molecular weight of 621.79 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine
PubChem CID140593345
Molecular FormulaC43H35N5
Molecular Weight621.79 g/mol
Exact Mass621.29
IUPAC Name3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine
SMILESCc1cccc(C)c1-c1cnc2c3cc(N(c4ccccc4)c4cccc(N5CN(C)c6ccccc65)c4)ccc3c3ccccc3n12
InChIInChI=1S/C43H35N5/c1-29-13-11-14-30(2)42(29)41-27-44-43-37-26-34(23-24-35(37)36-19-7-8-20-38(36)48(41)43)47(31-15-5-4-6-16-31)33-18-12-17-32(25-33)46-28-45(3)39-21-9-10-22-40(39)46/h4-27H,28H2,1-3H3
InChIKeyMGOHTMXCSVVQOL-UHFFFAOYSA-N
XLogP10.94
TPSA27.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.79
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382419
5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-(N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]anilino)carbazol-9-yl]pyridine-4-carbonitrile
CID 169289005
9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382297
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 177276738
N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 155622863
4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline
CID 170530692
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
3,16-bis(2,6-dimethylphenyl)-9-[3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610768
N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 155623173
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-N-phenylcarbazol-2-amine
CID 158993975
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine?
The IUPAC name of 3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine (CID 140593345) is 3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine is Cc1cccc(C)c1-c1cnc2c3cc(N(c4ccccc4)c4cccc(N5CN(C)c6ccccc65)c4)ccc3c3ccccc3n12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine?
The InChIKey is MGOHTMXCSVVQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N5/c1-29-13-11-14-30(2)42(29)41-27-44-43-37-26-34(23-24-35(37)36-19-7-8-20-38(36)48(41)43)47(31-15-5-4-6-16-31)33-18-12-17-32(25-33)46-28-45(3)39-21-9-10-22-40(39)46/h4-27H,28H2,1-3H3.
What are the key properties of 3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine?
3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine has a molecular weight of 621.79 g/mol, XLogP of 10.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine is sourced from PubChem (CID 140593345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).