(12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene

C36H24N4 — CID 144705408

IUPAC(12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene
SMILESC=C/C=c1\c(=C)c2cc3ccccc3n2c2cc3c4ccccc4n(-c4cccc(-c5cccnc5)n4)c3cc12
InChIInChI=1S/C36H24N4/c1-3-10-26-23(2)33-19-24-11-4-6-15-31(24)39(33)34-21-29-27-13-5-7-16-32(27)40(35(29)20-28(26)34)36-17-8-14-30(38-36)25-12-9-18-37-22-25/h3-22H,1-2H2/b26-10+
InChIKeySGDMDIZBKKPITK-NSKAYECMSA-N
MW512.62 g/mol
LogP7.18
Rot. Bonds3

About (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene

(12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene (PubChem CID 144705408) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene.

Molecular Properties

Compound Name(12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene
PubChem CID144705408
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name(12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene
SMILESC=C/C=c1\c(=C)c2cc3ccccc3n2c2cc3c4ccccc4n(-c4cccc(-c5cccnc5)n4)c3cc12
InChIInChI=1S/C36H24N4/c1-3-10-26-23(2)33-19-24-11-4-6-15-31(24)39(33)34-21-29-27-13-5-7-16-32(27)40(35(29)20-28(26)34)36-17-8-14-30(38-36)25-12-9-18-37-22-25/h3-22H,1-2H2/b26-10+
InChIKeySGDMDIZBKKPITK-NSKAYECMSA-N
XLogP7.18
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene with MolForge

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Related Compounds

20-(6-phenyl-2-pyridinyl)-2,20-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432111
26-(6-phenyl-2-pyridinyl)-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432826
20-(3-pyridin-3-ylphenyl)-2,20-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432112
buta-1,3-diene;ethane;20-phenyl-14-(6-pyridin-3-yl-2-pyridinyl)-10-thia-14,20-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene;prop-1-ene
CID 144661702
11-(6-phenyl-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 118330790
26-(3-pyridin-3-ylphenyl)-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432851
2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole
CID 122593968
20-phenyl-14-(6-pyridin-3-yl-2-pyridinyl)-10-thia-14,20-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene
CID 90267109
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611
5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole
CID 129063059

Frequently Asked Questions

What is the IUPAC name of (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene?
The IUPAC name of (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene (CID 144705408) is (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene.
What is the SMILES notation for (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene?
The canonical SMILES for (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene is C=C/C=c1\c(=C)c2cc3ccccc3n2c2cc3c4ccccc4n(-c4cccc(-c5cccnc5)n4)c3cc12.
What is the InChIKey of (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene?
The InChIKey is SGDMDIZBKKPITK-NSKAYECMSA-N. The full InChI is InChI=1S/C36H24N4/c1-3-10-26-23(2)33-19-24-11-4-6-15-31(24)39(33)34-21-29-27-13-5-7-16-32(27)40(35(29)20-28(26)34)36-17-8-14-30(38-36)25-12-9-18-37-22-25/h3-22H,1-2H2/b26-10+.
What are the key properties of (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene?
(12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene has a molecular weight of 512.62 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12E)-11-methylidene-12-prop-2-enylidene-16-(6-pyridin-3-yl-2-pyridinyl)-2,16-diazahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(13),3,5,7,9,14,17,19,21,23-decaene is sourced from PubChem (CID 144705408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).