N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine

C25H15N3O — CID 168933151

IUPACN-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine
SMILESON=C1c2ccc3[nH]c4ccccc4c3c2-c2c1ccc1[nH]c3ccccc3c21
InChIInChI=1S/C25H15N3O/c29-28-25-15-9-11-19-21(13-5-1-3-7-17(13)26-19)23(15)24-16(25)10-12-20-22(24)14-6-2-4-8-18(14)27-20/h1-12,26-27,29H
InChIKeyBDJBGLPDZFKXTG-UHFFFAOYSA-N
MW373.42 g/mol
LogP6.16
Rot. Bonds

About N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine

N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine (PubChem CID 168933151) has the molecular formula C25H15N3O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine
PubChem CID168933151
Molecular FormulaC25H15N3O
Molecular Weight373.42 g/mol
Exact Mass373.12
IUPAC NameN-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine
SMILESON=C1c2ccc3[nH]c4ccccc4c3c2-c2c1ccc1[nH]c3ccccc3c21
InChIInChI=1S/C25H15N3O/c29-28-25-15-9-11-19-21(13-5-1-3-7-17(13)26-19)23(15)24-16(25)10-12-20-22(24)14-6-2-4-8-18(14)27-20/h1-12,26-27,29H
InChIKeyBDJBGLPDZFKXTG-UHFFFAOYSA-N
XLogP6.16
TPSA64.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine with MolForge

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Related Compounds

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[6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol
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3-methyl-9H-carbazol-4-ol
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4-methoxy-3-methyl-9H-carbazole
CID 169091963
4-phenyl-9H-carbazole
CID 22990274
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189
3-ethyl-9H-carbazol-4-ol
CID 163569607
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CID 87743227

Frequently Asked Questions

What is the IUPAC name of N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine?
The IUPAC name of N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine (CID 168933151) is N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine.
What is the SMILES notation for N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine?
The canonical SMILES for N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine is ON=C1c2ccc3[nH]c4ccccc4c3c2-c2c1ccc1[nH]c3ccccc3c21.
What is the InChIKey of N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine?
The InChIKey is BDJBGLPDZFKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3O/c29-28-25-15-9-11-19-21(13-5-1-3-7-17(13)26-19)23(15)24-16(25)10-12-20-22(24)14-6-2-4-8-18(14)27-20/h1-12,26-27,29H.
What are the key properties of N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine?
N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine has a molecular weight of 373.42 g/mol, XLogP of 6.16, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine is sourced from PubChem (CID 168933151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).