5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

C42H29N — CID 122484974

IUPAC5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESC1=c2ccc(-c3ccc4c(c3)N(c3ccccc3)c3cccc5c(-c6ccc7ccccc7c6)ccc-4c35)cc2=CCC1
InChIInChI=1S/C42H29N/c1-2-13-35(14-3-1)43-40-16-8-15-38-36(34-20-18-29-10-5-7-12-31(29)26-34)23-24-39(42(38)40)37-22-21-33(27-41(37)43)32-19-17-28-9-4-6-11-30(28)25-32/h1-3,5,7-27H,4,6H2
InChIKeyZXLHCADSRQZNGV-UHFFFAOYSA-N
MW547.70 g/mol
LogP10.13
Rot. Bonds3

About 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (PubChem CID 122484974) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.

Molecular Properties

Compound Name5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
PubChem CID122484974
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESC1=c2ccc(-c3ccc4c(c3)N(c3ccccc3)c3cccc5c(-c6ccc7ccccc7c6)ccc-4c35)cc2=CCC1
InChIInChI=1S/C42H29N/c1-2-13-35(14-3-1)43-40-16-8-15-38-36(34-20-18-29-10-5-7-12-31(29)26-34)23-24-39(42(38)40)37-22-21-33(27-41(37)43)32-19-17-28-9-4-6-11-30(28)25-32/h1-3,5,7-27H,4,6H2
InChIKeyZXLHCADSRQZNGV-UHFFFAOYSA-N
XLogP10.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene with MolForge

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Related Compounds

3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170183716
2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene
CID 143617541
5-(3,5-dibromophenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118533012
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 118532804
4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene
CID 121400657
6-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8,12-diphenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170183584
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 137492354
N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline
CID 129133998

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The IUPAC name of 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (CID 122484974) is 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.
What is the SMILES notation for 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The canonical SMILES for 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is C1=c2ccc(-c3ccc4c(c3)N(c3ccccc3)c3cccc5c(-c6ccc7ccccc7c6)ccc-4c35)cc2=CCC1.
What is the InChIKey of 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The InChIKey is ZXLHCADSRQZNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-2-13-35(14-3-1)43-40-16-8-15-38-36(34-20-18-29-10-5-7-12-31(29)26-34)23-24-39(42(38)40)37-22-21-33(27-41(37)43)32-19-17-28-9-4-6-11-30(28)25-32/h1-3,5,7-27H,4,6H2.
What are the key properties of 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene has a molecular weight of 547.70 g/mol, XLogP of 10.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydronaphthalen-2-yl)-14-naphthalen-2-yl-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is sourced from PubChem (CID 122484974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).