6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran

C42H30O — CID 123620919

IUPAC6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran
SMILESCC=c1c(-c2ccccc2)c2ccccc2c(-c2ccc(-c3cc4ccccc4c4c3oc3ccccc34)cc2)c1=CC
InChIInChI=1S/C42H30O/c1-3-31-32(4-2)40(35-19-11-10-18-34(35)39(31)28-14-6-5-7-15-28)29-24-22-27(23-25-29)37-26-30-16-8-9-17-33(30)41-36-20-12-13-21-38(36)43-42(37)41/h3-26H,1-2H3
InChIKeyAHTXYIDZCUXUDX-UHFFFAOYSA-N
MW550.70 g/mol
LogP10.49
Rot. Bonds3

About 6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran

6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 123620919) has the molecular formula C42H30O and a molecular weight of 550.70 g/mol. Its IUPAC name is 6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran
PubChem CID123620919
Molecular FormulaC42H30O
Molecular Weight550.70 g/mol
Exact Mass550.23
IUPAC Name6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran
SMILESCC=c1c(-c2ccccc2)c2ccccc2c(-c2ccc(-c3cc4ccccc4c4c3oc3ccccc34)cc2)c1=CC
InChIInChI=1S/C42H30O/c1-3-31-32(4-2)40(35-19-11-10-18-34(35)39(31)28-14-6-5-7-15-28)29-24-22-27(23-25-29)37-26-30-16-8-9-17-33(30)41-36-20-12-13-21-38(36)43-42(37)41/h3-26H,1-2H3
InChIKeyAHTXYIDZCUXUDX-UHFFFAOYSA-N
XLogP10.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
(3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene
CID 144619381
6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155335028
6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 159916056
6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 129119407
22-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185289
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 134337496
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline
CID 134337497
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844541
9-methoxy-6-phenylnaphtho[2,1-b][1]benzofuran
CID 155128175

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran (CID 123620919) is 6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran is CC=c1c(-c2ccccc2)c2ccccc2c(-c2ccc(-c3cc4ccccc4c4c3oc3ccccc34)cc2)c1=CC.
What is the InChIKey of 6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran?
The InChIKey is AHTXYIDZCUXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O/c1-3-31-32(4-2)40(35-19-11-10-18-34(35)39(31)28-14-6-5-7-15-28)29-24-22-27(23-25-29)37-26-30-16-8-9-17-33(30)41-36-20-12-13-21-38(36)43-42(37)41/h3-26H,1-2H3.
What are the key properties of 6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran?
6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran has a molecular weight of 550.70 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 123620919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).