8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C28H19N3 — CID 123506605

IUPAC8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=CC2=c3ccccc3=C3C=C(n4c5ccncc5c5cnccc54)C=CC3C2C=C1
InChIInChI=1S/C28H19N3/c1-2-7-21-19(5-1)20-6-3-4-8-22(20)24-15-18(9-10-23(21)24)31-27-11-13-29-16-25(27)26-17-30-14-12-28(26)31/h1-17,21,23H
InChIKeyUVUOUNZPIJKFAN-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.37
Rot. Bonds1

About 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 123506605) has the molecular formula C28H19N3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID123506605
Molecular FormulaC28H19N3
Molecular Weight397.48 g/mol
Exact Mass397.16
IUPAC Name8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=CC2=c3ccccc3=C3C=C(n4c5ccncc5c5cnccc54)C=CC3C2C=C1
InChIInChI=1S/C28H19N3/c1-2-7-21-19(5-1)20-6-3-4-8-22(20)24-15-18(9-10-23(21)24)31-27-11-13-29-16-25(27)26-17-30-14-12-28(26)31/h1-17,21,23H
InChIKeyUVUOUNZPIJKFAN-UHFFFAOYSA-N
XLogP4.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

5-[3-methyl-4-(6-methyl-4-pyrido[4,3-b]indol-5-ylcyclohexa-2,4-dien-1-yl)phenyl]pyrido[4,3-b]indole
CID 144748457
8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 146427818
10-pyrido[4,3-b]indol-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517601
10-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517602
8-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)cyclohexa-1,3-dien-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144738788
8-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144670467
5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344139
8-hydroxy-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118518246
CID 102142656
CID 102142656
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 146522510

Frequently Asked Questions

What is the IUPAC name of 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 123506605) is 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C1=CC2=c3ccccc3=C3C=C(n4c5ccncc5c5cnccc54)C=CC3C2C=C1.
What is the InChIKey of 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is UVUOUNZPIJKFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3/c1-2-7-21-19(5-1)20-6-3-4-8-22(20)24-15-18(9-10-23(21)24)31-27-11-13-29-16-25(27)26-17-30-14-12-28(26)31/h1-17,21,23H.
What are the key properties of 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 397.48 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4a,4b-dihydrotriphenylen-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 123506605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).