2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran

C42H28O — CID 174292735

IUPAC2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESC1=CC2=C(c3ccccc3-c3ccccc3)c3ccccc3C(c3ccc4oc5cc6ccccc6cc5c4c3)C2C=C1
InChIInChI=1S/C42H28O/c1-2-12-27(13-3-1)31-16-6-7-17-32(31)42-35-20-10-8-18-33(35)41(34-19-9-11-21-36(34)42)30-22-23-39-37(25-30)38-24-28-14-4-5-15-29(28)26-40(38)43-39/h1-26,33,41H
InChIKeyVVIDDAUSMLGJDE-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.10
Rot. Bonds3

About 2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran

2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 174292735) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
PubChem CID174292735
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESC1=CC2=C(c3ccccc3-c3ccccc3)c3ccccc3C(c3ccc4oc5cc6ccccc6cc5c4c3)C2C=C1
InChIInChI=1S/C42H28O/c1-2-12-27(13-3-1)31-16-6-7-17-32(31)42-35-20-10-8-18-33(35)41(34-19-9-11-21-36(34)42)30-22-23-39-37(25-30)38-24-28-14-4-5-15-29(28)26-40(38)43-39/h1-26,33,41H
InChIKeyVVIDDAUSMLGJDE-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

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
7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 167515975
3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 171421007
10-iodo-9-phenyl-4a,10-dihydroanthracene
CID 129174339
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881
2-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 167669544
5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine
CID 88943692
2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine
CID 167032799
1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one
CID 157239720
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
2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine
CID 134531389
2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 146541885

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 174292735) is 2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran is C1=CC2=C(c3ccccc3-c3ccccc3)c3ccccc3C(c3ccc4oc5cc6ccccc6cc5c4c3)C2C=C1.
What is the InChIKey of 2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is VVIDDAUSMLGJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-2-12-27(13-3-1)31-16-6-7-17-32(31)42-35-20-10-8-18-33(35)41(34-19-9-11-21-36(34)42)30-22-23-39-37(25-30)38-24-28-14-4-5-15-29(28)26-40(38)43-39/h1-26,33,41H.
What are the key properties of 2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran?
2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-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 2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 174292735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).