N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine

C38H25N5Se — CID 140741941

IUPACN-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine
SMILESCc1ccc2c(n1)[se]c1c(-c3cccc(N(c4ccccc4)c4ccc5c6ccccc6n6ccnc6c5c4)n3)cccc12
InChIInChI=1S/C38H25N5Se/c1-24-17-19-30-29-12-7-13-31(36(29)44-38(30)40-24)33-14-8-16-35(41-33)43(25-9-3-2-4-10-25)26-18-20-27-28-11-5-6-15-34(28)42-22-21-39-37(42)32(27)23-26/h2-23H,1H3
InChIKeyBDJCGPKBBZPGRX-UHFFFAOYSA-N
MW630.61 g/mol
LogP9.24
Rot. Bonds4

About N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine

N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine (PubChem CID 140741941) has the molecular formula C38H25N5Se and a molecular weight of 630.61 g/mol. Its IUPAC name is N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine.

Molecular Properties

Compound NameN-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine
PubChem CID140741941
Molecular FormulaC38H25N5Se
Molecular Weight630.61 g/mol
Exact Mass631.13
IUPAC NameN-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine
SMILESCc1ccc2c(n1)[se]c1c(-c3cccc(N(c4ccccc4)c4ccc5c6ccccc6n6ccnc6c5c4)n3)cccc12
InChIInChI=1S/C38H25N5Se/c1-24-17-19-30-29-12-7-13-31(36(29)44-38(30)40-24)33-14-8-16-35(41-33)43(25-9-3-2-4-10-25)26-18-20-27-28-11-5-6-15-34(28)42-22-21-39-37(42)32(27)23-26/h2-23H,1H3
InChIKeyBDJCGPKBBZPGRX-UHFFFAOYSA-N
XLogP9.24
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.61
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-N-phenylpyridin-2-amine
CID 140742224
12-methylimidazo[1,2-f]phenanthridine
CID 67953611
8-[6-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-2-pyridinyl]-2-methyl-[1]benzoselenolo[2,3-b]pyridine
CID 140742077
6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine
CID 58855335
11-imidazo[1,2-f]phenanthridin-11-yloxy-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 163873412
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211049
3,6-diazapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2,4,7,9,11,14,16,18,20-decaene
CID 58162847
N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine
CID 59390738
9-(2-methylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163424071
8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine
CID 140741893
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine?
The IUPAC name of N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine (CID 140741941) is N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine.
What is the SMILES notation for N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine?
The canonical SMILES for N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine is Cc1ccc2c(n1)[se]c1c(-c3cccc(N(c4ccccc4)c4ccc5c6ccccc6n6ccnc6c5c4)n3)cccc12.
What is the InChIKey of N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine?
The InChIKey is BDJCGPKBBZPGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5Se/c1-24-17-19-30-29-12-7-13-31(36(29)44-38(30)40-24)33-14-8-16-35(41-33)43(25-9-3-2-4-10-25)26-18-20-27-28-11-5-6-15-34(28)42-22-21-39-37(42)32(27)23-26/h2-23H,1H3.
What are the key properties of N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine?
N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine has a molecular weight of 630.61 g/mol, XLogP of 9.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine is sourced from PubChem (CID 140741941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).