10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine

C37H23N — CID 123272857

IUPAC10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine
SMILESCc1nc(Cc2cc3ccc4cccc5ccc(c2)c3c45)cc2cc3ccc4cccc5ccc(c12)c3c45
InChIInChI=1S/C37H23N/c1-21-33-30(19-29-13-10-25-6-3-7-26-14-15-32(33)37(29)35(25)26)20-31(38-21)18-22-16-27-11-8-23-4-2-5-24-9-12-28(17-22)36(27)34(23)24/h2-17,19-20H,18H2,1H3
InChIKeyXMZONFNYSNGQCA-UHFFFAOYSA-N
MW481.60 g/mol
LogP9.93
Rot. Bonds2

About 10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine

10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine (PubChem CID 123272857) has the molecular formula C37H23N and a molecular weight of 481.60 g/mol. Its IUPAC name is 10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine.

Molecular Properties

Compound Name10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine
PubChem CID123272857
Molecular FormulaC37H23N
Molecular Weight481.60 g/mol
Exact Mass481.18
IUPAC Name10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine
SMILESCc1nc(Cc2cc3ccc4cccc5ccc(c2)c3c45)cc2cc3ccc4cccc5ccc(c12)c3c45
InChIInChI=1S/C37H23N/c1-21-33-30(19-29-13-10-25-6-3-7-26-14-15-32(33)37(29)35(25)26)20-31(38-21)18-22-16-27-11-8-23-4-2-5-24-9-12-28(17-22)36(27)34(23)24/h2-17,19-20H,18H2,1H3
InChIKeyXMZONFNYSNGQCA-UHFFFAOYSA-N
XLogP9.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 59.93
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'}

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Related Compounds

1-(7-heptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,7,10,13(23),14,16,18,20(24),21,25-tridecaenyl)-N-methylmethanamine
CID 123545361
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)-undecaene
CID 172997689
1,2-dimethylpyrene;ethane
CID 143986089
pyrene;1,3-xylene
CID 174892551
azane;propane;pyrene
CID 87370632
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916
1-ethylpyrene;propane
CID 144711239
nonacyclo[14.14.2.02,11.03,8.04,29.012,32.019,31.021,30.023,28]dotriaconta-1(31),2(11),3(8),4,6,9,12,14,16(32),17,19,21,23,25,27,29-hexadecaene
CID 21082945
pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene
CID 163289904
heptacyclo[12.12.0.02,11.03,8.04,25.017,26.019,24]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21,23,25-tridecaene
CID 6455215
dodecacyclo[20.16.0.02,19.03,16.04,13.05,38.06,35.07,12.08,33.024,37.027,36.029,34]octatriaconta-1(38),2(19),3(16),4(13),5,7,9,11,14,17,20,22,24(37),25,27(36),28,30,32,34-nonadecaene
CID 21082989
4-(2-methylpropyl)pyrene
CID 18737026

Frequently Asked Questions

What is the IUPAC name of 10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine?
The IUPAC name of 10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine (CID 123272857) is 10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine.
What is the SMILES notation for 10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine?
The canonical SMILES for 10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine is Cc1nc(Cc2cc3ccc4cccc5ccc(c2)c3c45)cc2cc3ccc4cccc5ccc(c12)c3c45.
What is the InChIKey of 10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine?
The InChIKey is XMZONFNYSNGQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N/c1-21-33-30(19-29-13-10-25-6-3-7-26-14-15-32(33)37(29)35(25)26)20-31(38-21)18-22-16-27-11-8-23-4-2-5-24-9-12-28(17-22)36(27)34(23)24/h2-17,19-20H,18H2,1H3.
What are the key properties of 10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine?
10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine has a molecular weight of 481.60 g/mol, XLogP of 9.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-8-(pyren-2-ylmethyl)pyreno[1,2-c]pyridine is sourced from PubChem (CID 123272857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).