4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole

C24H23N3O2 — CID 66766285

IUPAC4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole
SMILESCCCCCC=Cc1ccnc2[nH]c3ccc(-c4cccc([N+](=O)[O-])c4)cc3c12
InChIInChI=1S/C24H23N3O2/c1-2-3-4-5-6-8-17-13-14-25-24-23(17)21-16-19(11-12-22(21)26-24)18-9-7-10-20(15-18)27(28)29/h6-16H,2-5H2,1H3,(H,25,26)
InChIKeyYGOSKMHGMVXXPO-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.88
Rot. Bonds7

About 4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole

4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole (PubChem CID 66766285) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole
PubChem CID66766285
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole
SMILESCCCCCC=Cc1ccnc2[nH]c3ccc(-c4cccc([N+](=O)[O-])c4)cc3c12
InChIInChI=1S/C24H23N3O2/c1-2-3-4-5-6-8-17-13-14-25-24-23(17)21-16-19(11-12-22(21)26-24)18-9-7-10-20(15-18)27(28)29/h6-16H,2-5H2,1H3,(H,25,26)
InChIKeyYGOSKMHGMVXXPO-UHFFFAOYSA-N
XLogP6.88
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-hept-1-enyl]-6-(4-phenylphenyl)-9H-pyrido[2,3-b]indole
CID 68766438
2-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole
CID 66766291
4-nitro-1-[4-nitro-2-[(E)-oct-1-enyl]phenyl]-2-[(E)-oct-1-enyl]benzene
CID 58720490
2-hept-1-enyl-6-(4-phenylphenyl)-9H-pyrido[2,3-b]indole
CID 66766019
4-(4-hept-1-enyl-9H-pyrido[2,3-b]indol-6-yl)-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide
CID 66766287
1-hex-1-enyl-3-nitrobenzene
CID 54569294
1,3-dinitro-5-[(E)-octadec-1-enyl]benzene
CID 11395996
2-[(Z)-heptadec-8-enyl]-6-nitro-1H-benzimidazole
CID 42604377
1-nitro-3-octoxybenzene
CID 3442932
N-ethyl-2-(3-nitrophenyl)pyridin-4-amine
CID 102824677
5-(3-nitrophenyl)-4-octyl-1,2-dihydropyrazol-3-one
CID 10663303
4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole
CID 87140592

Frequently Asked Questions

What is the IUPAC name of 4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole (CID 66766285) is 4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole is CCCCCC=Cc1ccnc2[nH]c3ccc(-c4cccc([N+](=O)[O-])c4)cc3c12.
What is the InChIKey of 4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole?
The InChIKey is YGOSKMHGMVXXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-3-4-5-6-8-17-13-14-25-24-23(17)21-16-19(11-12-22(21)26-24)18-9-7-10-20(15-18)27(28)29/h6-16H,2-5H2,1H3,(H,25,26).
What are the key properties of 4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole?
4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole has a molecular weight of 385.47 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-1-enyl-6-(3-nitrophenyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 66766285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).