7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene

C23H15N3 — CID 146301085

IUPAC7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
SMILESc1ccc(-c2ccn3c(c2)nc2cc4[nH]c5ccccc5c4cc23)cc1
InChIInChI=1S/C23H15N3/c1-2-6-15(7-3-1)16-10-11-26-22-13-18-17-8-4-5-9-19(17)24-20(18)14-21(22)25-23(26)12-16/h1-14,24H
InChIKeyJHWHUCTYZNHHQH-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.79
Rot. Bonds1

About 7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene

7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene (PubChem CID 146301085) has the molecular formula C23H15N3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene.

Molecular Properties

Compound Name7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
PubChem CID146301085
Molecular FormulaC23H15N3
Molecular Weight333.39 g/mol
Exact Mass333.13
IUPAC Name7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
SMILESc1ccc(-c2ccn3c(c2)nc2cc4[nH]c5ccccc5c4cc23)cc1
InChIInChI=1S/C23H15N3/c1-2-6-15(7-3-1)16-10-11-26-22-13-18-17-8-4-5-9-19(17)24-20(18)14-21(22)25-23(26)12-16/h1-14,24H
InChIKeyJHWHUCTYZNHHQH-UHFFFAOYSA-N
XLogP5.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
CID 159935777
17-[3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10,14,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15(20),16,18-decaene
CID 163977300
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334
3-(4-iodophenyl)pyrido[1,2-a]benzimidazole
CID 122222891
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
CID 102495063
3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole
CID 67300877
5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene
CID 146300987
9-(9H-carbazol-2-yl)-2-phenylcarbazole
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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
The IUPAC name of 7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene (CID 146301085) is 7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene.
What is the SMILES notation for 7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
The canonical SMILES for 7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene is c1ccc(-c2ccn3c(c2)nc2cc4[nH]c5ccccc5c4cc23)cc1.
What is the InChIKey of 7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
The InChIKey is JHWHUCTYZNHHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3/c1-2-6-15(7-3-1)16-10-11-26-22-13-18-17-8-4-5-9-19(17)24-20(18)14-21(22)25-23(26)12-16/h1-14,24H.
What are the key properties of 7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene has a molecular weight of 333.39 g/mol, XLogP of 5.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene is sourced from PubChem (CID 146301085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).