5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine

C33H23NO — CID 176779290

IUPAC5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
SMILESCc1cnc(-c2cccc3c2oc2c4ccccc4ccc32)cc1-c1ccc2ccccc2c1C
InChIInChI=1S/C33H23NO/c1-20-19-34-31(18-30(20)25-16-14-22-8-3-5-10-24(22)21(25)2)29-13-7-12-27-28-17-15-23-9-4-6-11-26(23)32(28)35-33(27)29/h3-19H,1-2H3
InChIKeyTXTCWLVSAQQKNP-UHFFFAOYSA-N
MW449.55 g/mol
LogP9.24
Rot. Bonds2

About 5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine

5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine (PubChem CID 176779290) has the molecular formula C33H23NO and a molecular weight of 449.55 g/mol. Its IUPAC name is 5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine.

Molecular Properties

Compound Name5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
PubChem CID176779290
Molecular FormulaC33H23NO
Molecular Weight449.55 g/mol
Exact Mass449.18
IUPAC Name5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
SMILESCc1cnc(-c2cccc3c2oc2c4ccccc4ccc32)cc1-c1ccc2ccccc2c1C
InChIInChI=1S/C33H23NO/c1-20-19-34-31(18-30(20)25-16-14-22-8-3-5-10-24(22)21(25)2)29-13-7-12-27-28-17-15-23-9-4-6-11-26(23)32(28)35-33(27)29/h3-19H,1-2H3
InChIKeyTXTCWLVSAQQKNP-UHFFFAOYSA-N
XLogP9.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
4-[4-(3-methylpentan-3-yl)-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157144601
trimethyl-[[2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)-4-pyridinyl]methyl]silane
CID 171724015
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine;2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)-4-[2,4,5-tris(trideuteriomethyl)phenyl]pyridine;trideuterio(methylsulfinyl)methane
CID 159021397
2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 153450230
[3-deuterio-4-[2-phenanthro[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)-4-pyridinyl]-5-(trideuteriomethyl)phenyl]-trimethylsilane
CID 170546286
trimethyl-[4-[2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]silane
CID 157408157
10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline
CID 172522659
4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157360237
4-[4-[4-(1-deuteriocyclopentyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 158314441
2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 166496399
iridium;5-methyl-6-[5-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-4-pyridinyl]quinoline;2-phenylpyridine
CID 176779378

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
The IUPAC name of 5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine (CID 176779290) is 5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine.
What is the SMILES notation for 5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
The canonical SMILES for 5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine is Cc1cnc(-c2cccc3c2oc2c4ccccc4ccc32)cc1-c1ccc2ccccc2c1C.
What is the InChIKey of 5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
The InChIKey is TXTCWLVSAQQKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO/c1-20-19-34-31(18-30(20)25-16-14-22-8-3-5-10-24(22)21(25)2)29-13-7-12-27-28-17-15-23-9-4-6-11-26(23)32(28)35-33(27)29/h3-19H,1-2H3.
What are the key properties of 5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine has a molecular weight of 449.55 g/mol, XLogP of 9.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine is sourced from PubChem (CID 176779290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).