22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

C27H17N3 — CID 146555319

IUPAC22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1cncc(-n2c3ccccc3c3cc4[nH]c5ccc6ccccc6c5c4cc32)c1
InChIInChI=1S/C27H17N3/c1-2-8-19-17(6-1)11-12-23-27(19)22-15-26-21(14-24(22)29-23)20-9-3-4-10-25(20)30(26)18-7-5-13-28-16-18/h1-16,29H
InChIKeyHCOKUIPKCMOIRY-UHFFFAOYSA-N
MW383.45 g/mol
LogP6.97
Rot. Bonds1

About 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (PubChem CID 146555319) has the molecular formula C27H17N3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
PubChem CID146555319
Molecular FormulaC27H17N3
Molecular Weight383.45 g/mol
Exact Mass383.14
IUPAC Name22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1cncc(-n2c3ccccc3c3cc4[nH]c5ccc6ccccc6c5c4cc32)c1
InChIInChI=1S/C27H17N3/c1-2-8-19-17(6-1)11-12-23-27(19)22-15-26-21(14-24(22)29-23)20-9-3-4-10-25(20)30(26)18-7-5-13-28-16-18/h1-16,29H
InChIKeyHCOKUIPKCMOIRY-UHFFFAOYSA-N
XLogP6.97
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene with MolForge

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Related Compounds

5-pyridin-3-ylbenzo[b]carbazole
CID 122464099
7-phenyl-9-(9-pyridin-3-ylcarbazol-3-yl)benzo[c]carbazole
CID 129294310
10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole
CID 150701377
9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 139336780
20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 166015522
5-[3-(4-phenylphenyl)phenyl]-11-pyridin-3-ylindolo[3,2-b]carbazole
CID 140944253
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
14-phenyl-3-pyridin-3-yl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 122465006
11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 139504800
3-iodo-9-pyridin-3-ylcarbazole
CID 156633056
2-phenyl-9-pyridin-3-ylpyrazolo[3,4-b]carbazole
CID 118145454
4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 139504777

Frequently Asked Questions

What is the IUPAC name of 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The IUPAC name of 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (CID 146555319) is 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.
What is the SMILES notation for 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The canonical SMILES for 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is c1cncc(-n2c3ccccc3c3cc4[nH]c5ccc6ccccc6c5c4cc32)c1.
What is the InChIKey of 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The InChIKey is HCOKUIPKCMOIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3/c1-2-8-19-17(6-1)11-12-23-27(19)22-15-26-21(14-24(22)29-23)20-9-3-4-10-25(20)30(26)18-7-5-13-28-16-18/h1-16,29H.
What are the key properties of 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene has a molecular weight of 383.45 g/mol, XLogP of 6.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is sourced from PubChem (CID 146555319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).