5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine

C42H27NS — CID 129086004

IUPAC5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine
SMILESC1=C(c2ccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)cn2)c2c(sc3ccccc23)-c2ccccc2C1
InChIInChI=1S/C42H27NS/c1-2-9-29-23-30(14-13-27(29)7-1)31-15-16-33-25-34(18-17-32(33)24-31)35-20-22-39(43-26-35)37-21-19-28-8-3-4-10-36(28)42-41(37)38-11-5-6-12-40(38)44-42/h1-18,20-26H,19H2
InChIKeyMUIDLORDPNBHTI-UHFFFAOYSA-N
MW577.75 g/mol
LogP11.59
Rot. Bonds3

About 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine

5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine (PubChem CID 129086004) has the molecular formula C42H27NS and a molecular weight of 577.75 g/mol. Its IUPAC name is 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine.

Molecular Properties

Compound Name5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine
PubChem CID129086004
Molecular FormulaC42H27NS
Molecular Weight577.75 g/mol
Exact Mass577.19
IUPAC Name5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine
SMILESC1=C(c2ccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)cn2)c2c(sc3ccccc23)-c2ccccc2C1
InChIInChI=1S/C42H27NS/c1-2-9-29-23-30(14-13-27(29)7-1)31-15-16-33-25-34(18-17-32(33)24-31)35-20-22-39(43-26-35)37-21-19-28-8-3-4-10-36(28)42-41(37)38-11-5-6-12-40(38)44-42/h1-18,20-26H,19H2
InChIKeyMUIDLORDPNBHTI-UHFFFAOYSA-N
XLogP11.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine with MolForge

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Related Compounds

5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine
CID 129086024
2-(1,2-dihydrodibenzothiophen-4-yl)-5-[6-[2-(9H-fluoren-1-yl)pyrimidin-5-yl]naphthalen-2-yl]pyrimidine
CID 137383901
[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
3-[3-(4,6-diphenylpyrimidin-2-yl)-4-naphthalen-2-ylphenyl]-[1]benzothiolo[2,3-b]pyridine
CID 139406437
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531109
[4-[7-(6-naphthalen-1-yl-3-pyridinyl)naphthalen-2-yl]phenyl]phosphane
CID 170290591
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865

Frequently Asked Questions

What is the IUPAC name of 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine?
The IUPAC name of 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine (CID 129086004) is 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine.
What is the SMILES notation for 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine?
The canonical SMILES for 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine is C1=C(c2ccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)cn2)c2c(sc3ccccc23)-c2ccccc2C1.
What is the InChIKey of 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine?
The InChIKey is MUIDLORDPNBHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS/c1-2-9-29-23-30(14-13-27(29)7-1)31-15-16-33-25-34(18-17-32(33)24-31)35-20-22-39(43-26-35)37-21-19-28-8-3-4-10-36(28)42-41(37)38-11-5-6-12-40(38)44-42/h1-18,20-26H,19H2.
What are the key properties of 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine?
5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine has a molecular weight of 577.75 g/mol, XLogP of 11.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine is sourced from PubChem (CID 129086004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).