1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine

C39H30N2 — CID 163867802

IUPAC1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine
SMILESCCc1c(-c2ccc3ccccc3c2)c(-c2c(-c3ccc4ccccc4c3)c(C)c3ccccn23)n2ccccc12
InChIInChI=1S/C39H30N2/c1-3-33-35-17-9-11-23-41(35)39(37(33)32-21-19-28-13-5-7-15-30(28)25-32)38-36(26(2)34-16-8-10-22-40(34)38)31-20-18-27-12-4-6-14-29(27)24-31/h4-25H,3H2,1-2H3
InChIKeyPIDWRMIOBZINNP-UHFFFAOYSA-N
MW526.68 g/mol
LogP10.37
Rot. Bonds4

About 1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine

1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine (PubChem CID 163867802) has the molecular formula C39H30N2 and a molecular weight of 526.68 g/mol. Its IUPAC name is 1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine.

Molecular Properties

Compound Name1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine
PubChem CID163867802
Molecular FormulaC39H30N2
Molecular Weight526.68 g/mol
Exact Mass526.24
IUPAC Name1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine
SMILESCCc1c(-c2ccc3ccccc3c2)c(-c2c(-c3ccc4ccccc4c3)c(C)c3ccccn23)n2ccccc12
InChIInChI=1S/C39H30N2/c1-3-33-35-17-9-11-23-41(35)39(37(33)32-21-19-28-13-5-7-15-30(28)25-32)38-36(26(2)34-16-8-10-22-40(34)38)31-20-18-27-12-4-6-14-29(27)24-31/h4-25H,3H2,1-2H3
InChIKeyPIDWRMIOBZINNP-UHFFFAOYSA-N
XLogP10.37
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile
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2-ethyl-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235572
2-(2,3,5,6-tetramethylphenyl)naphthalene
CID 90733282
3-(3,5-dinaphthalen-2-ylphenyl)-1-phenylimidazo[1,5-a]pyridine
CID 129257002
2-ethyl-1-[6-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)naphthalen-2-yl]benzimidazole
CID 166043075
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene
CID 159616187
11-naphthalen-2-yl-5H-indolizino[3,2-b]indole
CID 142731024
2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine
CID 59999905
5-ethyl-6-methyl-2-naphthalen-2-ylpyrimidin-4-amine
CID 62202110
21-naphthalen-2-yl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 164757239

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine?
The IUPAC name of 1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine (CID 163867802) is 1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine.
What is the SMILES notation for 1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine?
The canonical SMILES for 1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine is CCc1c(-c2ccc3ccccc3c2)c(-c2c(-c3ccc4ccccc4c3)c(C)c3ccccn23)n2ccccc12.
What is the InChIKey of 1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine?
The InChIKey is PIDWRMIOBZINNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2/c1-3-33-35-17-9-11-23-41(35)39(37(33)32-21-19-28-13-5-7-15-30(28)25-32)38-36(26(2)34-16-8-10-22-40(34)38)31-20-18-27-12-4-6-14-29(27)24-31/h4-25H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine?
1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine has a molecular weight of 526.68 g/mol, XLogP of 10.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine is sourced from PubChem (CID 163867802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).