2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine

C51H31N — CID 59582996

IUPAC2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2c2cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc4c32)nc1
InChIInChI=1S/C51H31N/c1-2-14-33-29-35(25-24-32(33)13-1)49-40-19-7-9-21-42(40)51(43-22-10-8-20-41(43)49)47-31-46-37-16-4-3-15-36(37)45-30-34(48-23-11-12-28-52-48)26-27-44(45)50(46)39-18-6-5-17-38(39)47/h1-31H
InChIKeyKERIOYMJWAWLEO-UHFFFAOYSA-N
MW657.82 g/mol
LogP14.15
Rot. Bonds3

About 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine

2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine (PubChem CID 59582996) has the molecular formula C51H31N and a molecular weight of 657.82 g/mol. Its IUPAC name is 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine.

Molecular Properties

Compound Name2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine
PubChem CID59582996
Molecular FormulaC51H31N
Molecular Weight657.82 g/mol
Exact Mass657.25
IUPAC Name2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2c2cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc4c32)nc1
InChIInChI=1S/C51H31N/c1-2-14-33-29-35(25-24-32(33)13-1)49-40-19-7-9-21-42(40)51(43-22-10-8-20-41(43)49)47-31-46-37-16-4-3-15-36(37)45-30-34(48-23-11-12-28-52-48)26-27-44(45)50(46)39-18-6-5-17-38(39)47/h1-31H
InChIKeyKERIOYMJWAWLEO-UHFFFAOYSA-N
XLogP14.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine with MolForge

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Related Compounds

2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine
CID 59171873
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine
CID 160885929
2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine
CID 134487557
10,21-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629389
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 90361875
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
CID 90361727
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552190
10-naphthalen-2-yl-21-(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629422

Frequently Asked Questions

What is the IUPAC name of 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine?
The IUPAC name of 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine (CID 59582996) is 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine.
What is the SMILES notation for 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine?
The canonical SMILES for 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine is c1ccc(-c2ccc3c(c2)c2ccccc2c2cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc4c32)nc1.
What is the InChIKey of 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine?
The InChIKey is KERIOYMJWAWLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N/c1-2-14-33-29-35(25-24-32(33)13-1)49-40-19-7-9-21-42(40)51(43-22-10-8-20-41(43)49)47-31-46-37-16-4-3-15-36(37)45-30-34(48-23-11-12-28-52-48)26-27-44(45)50(46)39-18-6-5-17-38(39)47/h1-31H.
What are the key properties of 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine?
2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine has a molecular weight of 657.82 g/mol, XLogP of 14.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine is sourced from PubChem (CID 59582996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).