2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine

C48H26N2 — CID 58471026

IUPAC2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine
SMILESc1ccc(-c2cc3c4cc5c(cc4c(-c4ccccn4)cc3c3cc4c(cc23)-c2cccc3cccc-4c23)-c2cccc3cccc-5c23)nc1
InChIInChI=1S/C48H26N2/c1-3-19-49-45(17-1)43-25-39-38-22-34-30-14-6-10-28-12-8-16-32(48(28)30)36(34)24-42(38)44(46-18-2-4-20-50-46)26-40(39)37-21-33-29-13-5-9-27-11-7-15-31(47(27)29)35(33)23-41(37)43/h1-26H
InChIKeyFQRWJZSMEPMYLA-UHFFFAOYSA-N
MW630.75 g/mol
LogP12.87
Rot. Bonds2

About 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine

2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine (PubChem CID 58471026) has the molecular formula C48H26N2 and a molecular weight of 630.75 g/mol. Its IUPAC name is 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine.

Molecular Properties

Compound Name2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine
PubChem CID58471026
Molecular FormulaC48H26N2
Molecular Weight630.75 g/mol
Exact Mass630.21
IUPAC Name2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine
SMILESc1ccc(-c2cc3c4cc5c(cc4c(-c4ccccn4)cc3c3cc4c(cc23)-c2cccc3cccc-4c23)-c2cccc3cccc-5c23)nc1
InChIInChI=1S/C48H26N2/c1-3-19-49-45(17-1)43-25-39-38-22-34-30-14-6-10-28-12-8-16-32(48(28)30)36(34)24-42(38)44(46-18-2-4-20-50-46)26-40(39)37-21-33-29-13-5-9-27-11-7-15-31(47(27)29)35(33)23-41(37)43/h1-26H
InChIKeyFQRWJZSMEPMYLA-UHFFFAOYSA-N
XLogP12.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
CID 89347361
2-hexahelicen-1-ylpyridine
CID 146019951
7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene
CID 58471039
8-pyridin-2-ylquinoline
CID 10982041
2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine
CID 134448228
2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine
CID 138968741
1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium
CID 10574322
2-naphthalen-1-ylpyridine;quinoxaline
CID 174357892
2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
fluoranthene
CID 139203734
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991

Frequently Asked Questions

What is the IUPAC name of 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine?
The IUPAC name of 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine (CID 58471026) is 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine.
What is the SMILES notation for 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine?
The canonical SMILES for 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine is c1ccc(-c2cc3c4cc5c(cc4c(-c4ccccn4)cc3c3cc4c(cc23)-c2cccc3cccc-4c23)-c2cccc3cccc-5c23)nc1.
What is the InChIKey of 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine?
The InChIKey is FQRWJZSMEPMYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26N2/c1-3-19-49-45(17-1)43-25-39-38-22-34-30-14-6-10-28-12-8-16-32(48(28)30)36(34)24-42(38)44(46-18-2-4-20-50-46)26-40(39)37-21-33-29-13-5-9-27-11-7-15-31(47(27)29)35(33)23-41(37)43/h1-26H.
What are the key properties of 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine?
2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine has a molecular weight of 630.75 g/mol, XLogP of 12.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine is sourced from PubChem (CID 58471026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).