(19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene

C26H18N2 — CID 144906732

IUPAC(19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene
SMILESC=C/C=c1/[nH]c2cc3c(cc2c1=C)cc1c2ccccc2c2ccccc2n31
InChIInChI=1S/C26H18N2/c1-3-8-22-16(2)21-13-17-14-26-20-11-5-4-9-18(20)19-10-6-7-12-24(19)28(26)25(17)15-23(21)27-22/h3-15,27H,1-2H2/b22-8+
InChIKeyDKBINXJKCUFKFV-GZIVZEMBSA-N
MW358.44 g/mol
LogP5.26
Rot. Bonds1

About (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene

(19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene (PubChem CID 144906732) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene.

Molecular Properties

Compound Name(19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene
PubChem CID144906732
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name(19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene
SMILESC=C/C=c1/[nH]c2cc3c(cc2c1=C)cc1c2ccccc2c2ccccc2n31
InChIInChI=1S/C26H18N2/c1-3-8-22-16(2)21-13-17-14-26-20-11-5-4-9-18(20)19-10-6-7-12-24(19)28(26)25(17)15-23(21)27-22/h3-15,27H,1-2H2/b22-8+
InChIKeyDKBINXJKCUFKFV-GZIVZEMBSA-N
XLogP5.26
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene with MolForge

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Related Compounds

15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.07,12.020,25.026,30]triaconta-1(29),2,4(16),5,7,9,11,13,17,20,22,24,26(30),27-tetradecaene
CID 166921790
11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330824
2-ethylidene-3-methylidene-1H-indole
CID 131846475
9-carbazol-9-yl-5-(3-methylphenyl)-1,5-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2,4(12),6(11),7,9,13,15,17,19,21,23,25,27-tridecaene
CID 144906726
1,5,28-triazaundecacyclo[19.17.3.02,14.04,12.06,11.015,39.018,40.022,27.028,41.029,38.031,36]hentetraconta-2(14),3,6,8,10,12,15(39),16,18(40),19,21(41),22,24,26,29,31,33,35,37-nonadecaene
CID 154967815
(2E)-1-ethyl-3-methylidene-2-prop-2-enylideneindole
CID 126631875
(10E)-9-methylidene-10-prop-2-enylidenephenanthrene
CID 145283631
1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2,4(12),5,7,9,13,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene
CID 154967679
2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole
CID 177209641
(3Z)-2-methylidene-3-prop-2-enylidene-1H-indole
CID 142891286
11-(4,6-diphenyl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330805
5-chlorobenzo[b]carbazole
CID 139496406

Frequently Asked Questions

What is the IUPAC name of (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene?
The IUPAC name of (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene (CID 144906732) is (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene.
What is the SMILES notation for (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene?
The canonical SMILES for (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene is C=C/C=c1/[nH]c2cc3c(cc2c1=C)cc1c2ccccc2c2ccccc2n31.
What is the InChIKey of (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene?
The InChIKey is DKBINXJKCUFKFV-GZIVZEMBSA-N. The full InChI is InChI=1S/C26H18N2/c1-3-8-22-16(2)21-13-17-14-26-20-11-5-4-9-18(20)19-10-6-7-12-24(19)28(26)25(17)15-23(21)27-22/h3-15,27H,1-2H2/b22-8+.
What are the key properties of (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene?
(19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene has a molecular weight of 358.44 g/mol, XLogP of 5.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene is sourced from PubChem (CID 144906732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).