7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine

C46H34N4 — CID 58202831

IUPAC7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine
SMILESCc1ccc2c(c1)c1ccccc1c1nc(CCc3nc4c5ccccc5c5cc(C)ccc5n4c3-c3ccccc3)c(-c3ccccc3)n21
InChIInChI=1S/C46H34N4/c1-29-21-25-41-37(27-29)33-17-9-11-19-35(33)45-47-39(43(49(41)45)31-13-5-3-6-14-31)23-24-40-44(32-15-7-4-8-16-32)50-42-26-22-30(2)28-38(42)34-18-10-12-20-36(34)46(50)48-40/h3-22,25-28H,23-24H2,1-2H3
InChIKeyUKNBBFPBFLLDAX-UHFFFAOYSA-N
MW642.81 g/mol
LogP11.33
Rot. Bonds5

About 7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine

7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine (PubChem CID 58202831) has the molecular formula C46H34N4 and a molecular weight of 642.81 g/mol. Its IUPAC name is 7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine
PubChem CID58202831
Molecular FormulaC46H34N4
Molecular Weight642.81 g/mol
Exact Mass642.28
IUPAC Name7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine
SMILESCc1ccc2c(c1)c1ccccc1c1nc(CCc3nc4c5ccccc5c5cc(C)ccc5n4c3-c3ccccc3)c(-c3ccccc3)n21
InChIInChI=1S/C46H34N4/c1-29-21-25-41-37(27-29)33-17-9-11-19-35(33)45-47-39(43(49(41)45)31-13-5-3-6-14-31)23-24-40-44(32-15-7-4-8-16-32)50-42-26-22-30(2)28-38(42)34-18-10-12-20-36(34)46(50)48-40/h3-22,25-28H,23-24H2,1-2H3
InChIKeyUKNBBFPBFLLDAX-UHFFFAOYSA-N
XLogP11.33
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.81
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-methyl-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 132577859
7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 123439706
3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 58202889
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 58038117
7-methyl-2-[2-(7-methylimidazo[1,2-f]phenanthridin-2-yl)ethyl]imidazo[1,2-f]phenanthridine
CID 58202783
ethane;4-methyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 145358346
10-(10-phenylanthracen-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037532
2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine
CID 58038096
7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 58037752
12,18-dimethyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 143996049
2-methyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358732
4-phenyl-3-(3-triphenylen-2-ylphenyl)pyrimido[1,2-f]phenanthridin-2-one
CID 171448112

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine?
The IUPAC name of 7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine (CID 58202831) is 7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine is Cc1ccc2c(c1)c1ccccc1c1nc(CCc3nc4c5ccccc5c5cc(C)ccc5n4c3-c3ccccc3)c(-c3ccccc3)n21.
What is the InChIKey of 7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine?
The InChIKey is UKNBBFPBFLLDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4/c1-29-21-25-41-37(27-29)33-17-9-11-19-35(33)45-47-39(43(49(41)45)31-13-5-3-6-14-31)23-24-40-44(32-15-7-4-8-16-32)50-42-26-22-30(2)28-38(42)34-18-10-12-20-36(34)46(50)48-40/h3-22,25-28H,23-24H2,1-2H3.
What are the key properties of 7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine?
7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine has a molecular weight of 642.81 g/mol, XLogP of 11.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58202831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).