14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene

C19H13N3 — CID 144569238

IUPAC14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene
SMILESc1ccc(-c2c[nH]c3nc4[nH]c5ccccc5c4cc23)cc1
InChIInChI=1S/C19H13N3/c1-2-6-12(7-3-1)16-11-20-18-15(16)10-14-13-8-4-5-9-17(13)21-19(14)22-18/h1-11H,(H2,20,21,22)
InChIKeyHHDBTPJAQWTTTP-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.86
Rot. Bonds1

About 14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene

14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene (PubChem CID 144569238) has the molecular formula C19H13N3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene.

Molecular Properties

Compound Name14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene
PubChem CID144569238
Molecular FormulaC19H13N3
Molecular Weight283.33 g/mol
Exact Mass283.11
IUPAC Name14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene
SMILESc1ccc(-c2c[nH]c3nc4[nH]c5ccccc5c4cc23)cc1
InChIInChI=1S/C19H13N3/c1-2-6-12(7-3-1)16-11-20-18-15(16)10-14-13-8-4-5-9-17(13)21-19(14)22-18/h1-11H,(H2,20,21,22)
InChIKeyHHDBTPJAQWTTTP-UHFFFAOYSA-N
XLogP4.86
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene
CID 144569234
14-phenyl-8-selena-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene
CID 144569142
methane;3-phenyl-1H-indole
CID 167711687
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
3-bromo-2-methyl-9H-pyrido[2,3-b]indole
CID 141493017
5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene
CID 144569314
1-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
CID 139504814
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

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene?
The IUPAC name of 14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene (CID 144569238) is 14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene.
What is the SMILES notation for 14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene?
The canonical SMILES for 14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene is c1ccc(-c2c[nH]c3nc4[nH]c5ccccc5c4cc23)cc1.
What is the InChIKey of 14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene?
The InChIKey is HHDBTPJAQWTTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3/c1-2-6-12(7-3-1)16-11-20-18-15(16)10-14-13-8-4-5-9-17(13)21-19(14)22-18/h1-11H,(H2,20,21,22).
What are the key properties of 14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene?
14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene has a molecular weight of 283.33 g/mol, XLogP of 4.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene is sourced from PubChem (CID 144569238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).