2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol

C32H38N6O2 — CID 129305982

IUPAC2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCN(CC)c1ccc2c(c1)N(c1ccccc1)C1C=C(/N=N/c3ccc(N(CCO)CCO)cc3)C=CC1N2
InChIInChI=1S/C32H38N6O2/c1-3-36(4-2)28-15-17-30-32(23-28)38(27-8-6-5-7-9-27)31-22-25(12-16-29(31)33-30)35-34-24-10-13-26(14-11-24)37(18-20-39)19-21-40/h5-17,22-23,29,31,33,39-40H,3-4,18-21H2,1-2H3/b35-34+
InChIKeyBUTLAMYMJNWPSA-XAHDOWKMSA-N
MW538.70 g/mol
LogP5.86
Rot. Bonds11

About 2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol

2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 129305982) has the molecular formula C32H38N6O2 and a molecular weight of 538.70 g/mol. Its IUPAC name is 2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID129305982
Molecular FormulaC32H38N6O2
Molecular Weight538.70 g/mol
Exact Mass538.31
IUPAC Name2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCN(CC)c1ccc2c(c1)N(c1ccccc1)C1C=C(/N=N/c3ccc(N(CCO)CCO)cc3)C=CC1N2
InChIInChI=1S/C32H38N6O2/c1-3-36(4-2)28-15-17-30-32(23-28)38(27-8-6-5-7-9-27)31-22-25(12-16-29(31)33-30)35-34-24-10-13-26(14-11-24)37(18-20-39)19-21-40/h5-17,22-23,29,31,33,39-40H,3-4,18-21H2,1-2H3/b35-34+
InChIKeyBUTLAMYMJNWPSA-XAHDOWKMSA-N
XLogP5.86
TPSA86.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.70
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol
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CID 140607759
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CID 15507534
2-[N-(2-hydroxyethyl)anilino]ethanol;2-[N-(2-hydroxyethyl)-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]anilino]ethanol;4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline
CID 157205842
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1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216748

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol (CID 129305982) is 2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol is CCN(CC)c1ccc2c(c1)N(c1ccccc1)C1C=C(/N=N/c3ccc(N(CCO)CCO)cc3)C=CC1N2.
What is the InChIKey of 2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is BUTLAMYMJNWPSA-XAHDOWKMSA-N. The full InChI is InChI=1S/C32H38N6O2/c1-3-36(4-2)28-15-17-30-32(23-28)38(27-8-6-5-7-9-27)31-22-25(12-16-29(31)33-30)35-34-24-10-13-26(14-11-24)37(18-20-39)19-21-40/h5-17,22-23,29,31,33,39-40H,3-4,18-21H2,1-2H3/b35-34+.
What are the key properties of 2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 538.70 g/mol, XLogP of 5.86, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 129305982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).