7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran

C42H28O — CID 167515975

IUPAC7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESC1=CC2=C(c3cccc4oc5c6ccccc6ccc5c34)c3ccccc3C(c3ccccc3-c3ccccc3)C2C=C1
InChIInChI=1S/C42H28O/c1-2-13-27(14-3-1)29-16-6-7-18-31(29)39-32-19-8-10-21-34(32)40(35-22-11-9-20-33(35)39)36-23-12-24-38-41(36)37-26-25-28-15-4-5-17-30(28)42(37)43-38/h1-26,32,39H
InChIKeyBAADXYBMSNHKQZ-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.10
Rot. Bonds3

About 7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran

7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 167515975) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran
PubChem CID167515975
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESC1=CC2=C(c3cccc4oc5c6ccccc6ccc5c34)c3ccccc3C(c3ccccc3-c3ccccc3)C2C=C1
InChIInChI=1S/C42H28O/c1-2-13-27(14-3-1)29-16-6-7-18-31(29)39-32-19-8-10-21-34(32)40(35-22-11-9-20-33(35)39)36-23-12-24-38-41(36)37-26-25-28-15-4-5-17-30(28)42(37)43-38/h1-26,32,39H
InChIKeyBAADXYBMSNHKQZ-UHFFFAOYSA-N
XLogP11.10
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 ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 174288377
2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155155981
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 170132486
2-(6-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740940
5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine
CID 88943692
7-(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 167528692
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine
CID 170132539
7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran
CID 177072224
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 170272469
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738062
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365

Frequently Asked Questions

What is the IUPAC name of 7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 167515975) is 7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran is C1=CC2=C(c3cccc4oc5c6ccccc6ccc5c34)c3ccccc3C(c3ccccc3-c3ccccc3)C2C=C1.
What is the InChIKey of 7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is BAADXYBMSNHKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-2-13-27(14-3-1)29-16-6-7-18-31(29)39-32-19-8-10-21-34(32)40(35-22-11-9-20-33(35)39)36-23-12-24-38-41(36)37-26-25-28-15-4-5-17-30(28)42(37)43-38/h1-26,32,39H.
What are the key properties of 7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran?
7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 548.69 g/mol, XLogP of 11.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 167515975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).