3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran

C42H28O — CID 171421007

IUPAC3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESC1=CC2C(c3ccc4c(c3)oc3cc5ccccc5cc34)=c3ccccc3=C(c3ccccc3-c3ccccc3)C2C=C1
InChIInChI=1S/C42H28O/c1-2-12-27(13-3-1)31-16-6-7-17-33(31)42-36-20-10-8-18-34(36)41(35-19-9-11-21-37(35)42)30-22-23-32-38-24-28-14-4-5-15-29(28)25-40(38)43-39(32)26-30/h1-26,34,36H
InChIKeyNVDVRNROXQXVTE-UHFFFAOYSA-N
MW548.69 g/mol
LogP9.18
Rot. Bonds3

About 3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran

3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 171421007) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
PubChem CID171421007
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESC1=CC2C(c3ccc4c(c3)oc3cc5ccccc5cc34)=c3ccccc3=C(c3ccccc3-c3ccccc3)C2C=C1
InChIInChI=1S/C42H28O/c1-2-12-27(13-3-1)31-16-6-7-17-33(31)42-36-20-10-8-18-34(36)41(35-19-9-11-21-37(35)42)30-22-23-32-38-24-28-14-4-5-15-29(28)25-40(38)43-39(32)26-30/h1-26,34,36H
InChIKeyNVDVRNROXQXVTE-UHFFFAOYSA-N
XLogP9.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163563632
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 168731861
2-naphthalen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 146919730
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174292735
2-dibenzofuran-1-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163570475
2-(9-naphtho[2,3-b][1]benzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316497
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 158492616
3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran
CID 90433350
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163570291
2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 163487301
2-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316221

Frequently Asked Questions

What is the IUPAC name of 3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 171421007) is 3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran is C1=CC2C(c3ccc4c(c3)oc3cc5ccccc5cc34)=c3ccccc3=C(c3ccccc3-c3ccccc3)C2C=C1.
What is the InChIKey of 3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is NVDVRNROXQXVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-2-12-27(13-3-1)31-16-6-7-17-33(31)42-36-20-10-8-18-34(36)41(35-19-9-11-21-37(35)42)30-22-23-32-38-24-28-14-4-5-15-29(28)25-40(38)43-39(32)26-30/h1-26,34,36H.
What are the key properties of 3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 548.69 g/mol, XLogP of 9.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 171421007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).