6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine

C29H21NO — CID 170296830

IUPAC6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESCc1cc2ccccc2c2oc3ccc(N(c4ccccc4)c4ccccc4)cc3c12
InChIInChI=1S/C29H21NO/c1-20-18-21-10-8-9-15-25(21)29-28(20)26-19-24(16-17-27(26)31-29)30(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-19H,1H3
InChIKeyLCZSKPSAQOUGAO-UHFFFAOYSA-N
MW399.49 g/mol
LogP8.52
Rot. Bonds3

About 6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine

6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 170296830) has the molecular formula C29H21NO and a molecular weight of 399.49 g/mol. Its IUPAC name is 6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
PubChem CID170296830
Molecular FormulaC29H21NO
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESCc1cc2ccccc2c2oc3ccc(N(c4ccccc4)c4ccccc4)cc3c12
InChIInChI=1S/C29H21NO/c1-20-18-21-10-8-9-15-25(21)29-28(20)26-19-24(16-17-27(26)31-29)30(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-19H,1H3
InChIKeyLCZSKPSAQOUGAO-UHFFFAOYSA-N
XLogP8.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170296834
7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine
CID 155173021
N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167339356
N,N-diphenyldibenzofuran-2-amine
CID 58038469
N-[4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167339270
8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine
CID 139525359
N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295558
2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 164952868
5-N,18-N-di(phenanthren-2-yl)-5-N,18-N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260434
6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167339368
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 177116861
5-N,18-N-bis(4-methylphenyl)-5-N,18-N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260427

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of 6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine (CID 170296830) is 6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for 6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for 6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine is Cc1cc2ccccc2c2oc3ccc(N(c4ccccc4)c4ccccc4)cc3c12.
What is the InChIKey of 6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is LCZSKPSAQOUGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO/c1-20-18-21-10-8-9-15-25(21)29-28(20)26-19-24(16-17-27(26)31-29)30(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-19H,1H3.
What are the key properties of 6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 399.49 g/mol, XLogP of 8.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 170296830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).