23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene

C35H24N2 — CID 138512341

IUPAC23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene
SMILESC1=CC2C=C3C(=CC2C=C1)c1cn(-c2cccc(-c4ccccc4)n2)c2cccc(c12)-c1ccccc13
InChIInChI=1S/C35H24N2/c1-2-10-23(11-3-1)32-17-9-19-34(36-32)37-22-31-30-21-25-13-5-4-12-24(25)20-29(30)27-15-7-6-14-26(27)28-16-8-18-33(37)35(28)31/h1-22,24-25H
InChIKeyGEURSYRMNQDENN-UHFFFAOYSA-N
MW472.59 g/mol
LogP8.51
Rot. Bonds2

About 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene

23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene (PubChem CID 138512341) has the molecular formula C35H24N2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene.

Molecular Properties

Compound Name23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene
PubChem CID138512341
Molecular FormulaC35H24N2
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene
SMILESC1=CC2C=C3C(=CC2C=C1)c1cn(-c2cccc(-c4ccccc4)n2)c2cccc(c12)-c1ccccc13
InChIInChI=1S/C35H24N2/c1-2-10-23(11-3-1)32-17-9-19-34(36-32)37-22-31-30-21-25-13-5-4-12-24(25)20-29(30)27-15-7-6-14-26(27)28-16-8-18-33(37)35(28)31/h1-22,24-25H
InChIKeyGEURSYRMNQDENN-UHFFFAOYSA-N
XLogP8.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene with MolForge

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Related Compounds

24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene
CID 160716507
2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
CID 122593708
16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene
CID 160557372
1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole
CID 67891713
2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine
CID 139497654
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 158205767
23-pyrimidin-2-yl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene
CID 139547313
12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole
CID 118150729
23-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene
CID 138512286
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504570

Frequently Asked Questions

What is the IUPAC name of 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene?
The IUPAC name of 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene (CID 138512341) is 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene.
What is the SMILES notation for 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene?
The canonical SMILES for 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene is C1=CC2C=C3C(=CC2C=C1)c1cn(-c2cccc(-c4ccccc4)n2)c2cccc(c12)-c1ccccc13.
What is the InChIKey of 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene?
The InChIKey is GEURSYRMNQDENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2/c1-2-10-23(11-3-1)32-17-9-19-34(36-32)37-22-31-30-21-25-13-5-4-12-24(25)20-29(30)27-15-7-6-14-26(27)28-16-8-18-33(37)35(28)31/h1-22,24-25H.
What are the key properties of 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene?
23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene has a molecular weight of 472.59 g/mol, XLogP of 8.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,5,7,10,12,14,16,18(25),19,21-undecaene is sourced from PubChem (CID 138512341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).