3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene

C42H24N14 — CID 58536516

IUPAC3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
SMILESc1ccc(C2=NC3=NC(c4ccccc4)=NC4=NC(c5cccc(C6=NC7=NC(c8ccccc8)=NC8=NC(c9ccccc9)=NC(=N6)N87)c5)=NC(=N2)N34)cc1
InChIInChI=1S/C42H24N14/c1-5-14-25(15-6-1)31-43-37-44-32(26-16-7-2-8-17-26)48-40-52-35(51-39(47-31)55(37)40)29-22-13-23-30(24-29)36-53-41-49-33(27-18-9-3-10-19-27)45-38-46-34(28-20-11-4-12-21-28)50-42(54-36)56(38)41/h1-24H
InChIKeyANUYEHVBVXBPGS-UHFFFAOYSA-N
MW724.75 g/mol
LogP5.79
Rot. Bonds6

About 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene

3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene (PubChem CID 58536516) has the molecular formula C42H24N14 and a molecular weight of 724.75 g/mol. Its IUPAC name is 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound Name3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
PubChem CID58536516
Molecular FormulaC42H24N14
Molecular Weight724.75 g/mol
Exact Mass724.23
IUPAC Name3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
SMILESc1ccc(C2=NC3=NC(c4ccccc4)=NC4=NC(c5cccc(C6=NC7=NC(c8ccccc8)=NC8=NC(c9ccccc9)=NC(=N6)N87)c5)=NC(=N2)N34)cc1
InChIInChI=1S/C42H24N14/c1-5-14-25(15-6-1)31-43-37-44-32(26-16-7-2-8-17-26)48-40-52-35(51-39(47-31)55(37)40)29-22-13-23-30(24-29)36-53-41-49-33(27-18-9-3-10-19-27)45-38-46-34(28-20-11-4-12-21-28)50-42(54-36)56(38)41/h1-24H
InChIKeyANUYEHVBVXBPGS-UHFFFAOYSA-N
XLogP5.79
TPSA154.80 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.75
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene with MolForge

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Related Compounds

3,7,11-tris(4-phenylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
CID 58536530
3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 132575209
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
3,7-diphenyl-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 163237262
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
bis(1,3-diphenylbenzene);ethane
CID 144938975

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene (CID 58536516) is 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene is c1ccc(C2=NC3=NC(c4ccccc4)=NC4=NC(c5cccc(C6=NC7=NC(c8ccccc8)=NC8=NC(c9ccccc9)=NC(=N6)N87)c5)=NC(=N2)N34)cc1.
What is the InChIKey of 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene?
The InChIKey is ANUYEHVBVXBPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N14/c1-5-14-25(15-6-1)31-43-37-44-32(26-16-7-2-8-17-26)48-40-52-35(51-39(47-31)55(37)40)29-22-13-23-30(24-29)36-53-41-49-33(27-18-9-3-10-19-27)45-38-46-34(28-20-11-4-12-21-28)50-42(54-36)56(38)41/h1-24H.
What are the key properties of 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene?
3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene has a molecular weight of 724.75 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)phenyl]-7,11-diphenyl-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 58536516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).