(14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide

C34H21N2O- — CID 134941819

IUPAC(14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide
SMILES[N-]=Nc1c2c(c(O)c3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21
InChIInChI=1S/C34H21N2O/c35-36-33-29-25-17-9-1-5-13-21(17)27(22-14-6-2-10-18(22)25)31(29)34(37)32-28-23-15-7-3-11-19(23)26(30(32)33)20-12-4-8-16-24(20)28/h1-16,25-28,37H/q-1
InChIKeyVMODHKSCPVAKRR-UHFFFAOYSA-N
MW473.56 g/mol
LogP8.02
Rot. Bonds1

About (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide

(14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide (PubChem CID 134941819) has the molecular formula C34H21N2O- and a molecular weight of 473.56 g/mol. Its IUPAC name is (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide.

Molecular Properties

Compound Name(14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide
PubChem CID134941819
Molecular FormulaC34H21N2O-
Molecular Weight473.56 g/mol
Exact Mass473.17
IUPAC Name(14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide
SMILES[N-]=Nc1c2c(c(O)c3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21
InChIInChI=1S/C34H21N2O/c35-36-33-29-25-17-9-1-5-13-21(17)27(22-14-6-2-10-18(22)25)31(29)34(37)32-28-23-15-7-3-11-19(23)26(30(32)33)20-12-4-8-16-24(20)28/h1-16,25-28,37H/q-1
InChIKeyVMODHKSCPVAKRR-UHFFFAOYSA-N
XLogP8.02
TPSA54.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.56
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide with MolForge

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Related Compounds

14-methylnonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
CID 135043992
nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
CID 11532417
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,10-diol
CID 102091760
ethane;6-methylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-3-ol
CID 169156412
3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4224088
(1S,8S)-3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 95564315
trimethyl-[(10-trimethylsilyloxy-3-hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaenyl)oxy]silane
CID 11730530
17-(2,4,6-trifluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene-16,18-diol
CID 123627757
15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 4118963
15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 15668870
17-pentyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene-16,18-diol
CID 91020802
2-[2-[[6-[2-(2-hydroxyethoxy)ethoxy]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]oxy]ethoxy]ethanol
CID 45141904

Frequently Asked Questions

What is the IUPAC name of (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide?
The IUPAC name of (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide (CID 134941819) is (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide.
What is the SMILES notation for (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide?
The canonical SMILES for (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide is [N-]=Nc1c2c(c(O)c3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.
What is the InChIKey of (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide?
The InChIKey is VMODHKSCPVAKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N2O/c35-36-33-29-25-17-9-1-5-13-21(17)27(22-14-6-2-10-18(22)25)31(29)34(37)32-28-23-15-7-3-11-19(23)26(30(32)33)20-12-4-8-16-24(20)28/h1-16,25-28,37H/q-1.
What are the key properties of (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide?
(14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide has a molecular weight of 473.56 g/mol, XLogP of 8.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (14-hydroxy-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl)iminoazanide is sourced from PubChem (CID 134941819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).