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

C46H30O — CID 174167803

IUPAC2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESC1=Cc2c(c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc3c2-c2ccc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C46H30O/c1-2-12-29(13-3-1)33-23-24-40(35-17-7-6-16-34(33)35)46-38-20-10-8-18-36(38)45(37-19-9-11-21-39(37)46)32-22-25-43-41(27-32)42-26-30-14-4-5-15-31(30)28-44(42)47-43/h1-8,10-18,20-28H,9,19H2
InChIKeyIRPOLWJGPSQTIZ-UHFFFAOYSA-N
MW598.75 g/mol
LogP13.01
Rot. Bonds3

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

2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 174167803) has the molecular formula C46H30O and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
PubChem CID174167803
Molecular FormulaC46H30O
Molecular Weight598.75 g/mol
Exact Mass598.23
IUPAC Name2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESC1=Cc2c(c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc3c2-c2ccc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C46H30O/c1-2-12-29(13-3-1)33-23-24-40(35-17-7-6-16-34(33)35)46-38-20-10-8-18-36(38)45(37-19-9-11-21-39(37)46)32-22-25-43-41(27-32)42-26-30-14-4-5-15-31(30)28-44(42)47-43/h1-8,10-18,20-28H,9,19H2
InChIKeyIRPOLWJGPSQTIZ-UHFFFAOYSA-N
XLogP13.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[10-(2-phenylphenyl)-3,4-dihydroanthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 144583429
10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
CID 163725515
CID 165025337
CID 165025337
2-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 90433498
2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran
CID 70972681
2-[9-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-10-(3-phenanthren-9-ylphenyl)-7,8-dihydroanthracen-2-yl]dibenzofuran
CID 146668989
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652642
2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol
CID 88558283
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 174167803) is 2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran is C1=Cc2c(c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc3c2-c2ccc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is IRPOLWJGPSQTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30O/c1-2-12-29(13-3-1)33-23-24-40(35-17-7-6-16-34(33)35)46-38-20-10-8-18-36(38)45(37-19-9-11-21-39(37)46)32-22-25-43-41(27-32)42-26-30-14-4-5-15-31(30)28-44(42)47-43/h1-8,10-18,20-28H,9,19H2.
What are the key properties of 2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 598.75 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 174167803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).