N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

C34H37NO3 — CID 11813174

IUPACN-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)Cc1cc2ccccc2c2c1OC(c1ccccc1)(c1ccccc1)C=C2
InChIInChI=1S/C34H37NO3/c1-3-36-23-21-35(22-24-37-4-2)26-28-25-27-13-11-12-18-31(27)32-19-20-34(38-33(28)32,29-14-7-5-8-15-29)30-16-9-6-10-17-30/h5-20,25H,3-4,21-24,26H2,1-2H3
InChIKeyHAWCTRZRCWDRFR-UHFFFAOYSA-N
MW507.67 g/mol
LogP7.06
Rot. Bonds12

About N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (PubChem CID 11813174) has the molecular formula C34H37NO3 and a molecular weight of 507.67 g/mol. Its IUPAC name is N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
PubChem CID11813174
Molecular FormulaC34H37NO3
Molecular Weight507.67 g/mol
Exact Mass507.28
IUPAC NameN-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)Cc1cc2ccccc2c2c1OC(c1ccccc1)(c1ccccc1)C=C2
InChIInChI=1S/C34H37NO3/c1-3-36-23-21-35(22-24-37-4-2)26-28-25-27-13-11-12-18-31(27)32-19-20-34(38-33(28)32,29-14-7-5-8-15-29)30-16-9-6-10-17-30/h5-20,25H,3-4,21-24,26H2,1-2H3
InChIKeyHAWCTRZRCWDRFR-UHFFFAOYSA-N
XLogP7.06
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.67
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene
CID 101247818
[3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol
CID 69314165
5-methyl-2,2-diphenylbenzo[h]chromene
CID 23371123
2-[3-(4-formylphenyl)-3-phenylbenzo[f]chromen-5-yl]oxyethyl acetate
CID 146551934
2,2,5-triphenylbenzo[h]chromene
CID 13007765
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
(3,3-diphenylbenzo[f]chromen-5-yl) trifluoromethanesulfonate
CID 10983702
tert-butyl N-(3,3-diphenylbenzo[f]chromen-5-yl)carbamate
CID 132609095
4,4,17,17-tetrakis(4-methoxyphenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8,10,12,15-heptaene
CID 4316919
5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-21,21-dimethyl-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene
CID 168851688
N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82959881
3-methyl-3-phenylbenzo[f]chromene
CID 10849806

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (CID 11813174) is N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is CCOCCN(CCOCC)Cc1cc2ccccc2c2c1OC(c1ccccc1)(c1ccccc1)C=C2.
What is the InChIKey of N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The InChIKey is HAWCTRZRCWDRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO3/c1-3-36-23-21-35(22-24-37-4-2)26-28-25-27-13-11-12-18-31(27)32-19-20-34(38-33(28)32,29-14-7-5-8-15-29)30-16-9-6-10-17-30/h5-20,25H,3-4,21-24,26H2,1-2H3.
What are the key properties of N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine has a molecular weight of 507.67 g/mol, XLogP of 7.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 11813174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).