2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran

C48H28O — CID 166019883

IUPAC2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2cc3c4c(cc(-c5cccc(-c6ccc7oc8cc9ccccc9cc8c7c6)c5)cc4c2)-c2cc4ccccc4cc2-3)cc1
InChIInChI=1S/C48H28O/c1-2-9-29(10-3-1)37-20-39-21-38(27-45-41-23-33-12-5-4-11-32(33)22-40(41)44(26-37)48(39)45)31-16-8-15-30(19-31)36-17-18-46-42(25-36)43-24-34-13-6-7-14-35(34)28-47(43)49-46/h1-28H
InChIKeyQDALIJSDMOCRIV-UHFFFAOYSA-N
MW620.75 g/mol
LogP13.69
Rot. Bonds3

About 2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran

2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 166019883) has the molecular formula C48H28O and a molecular weight of 620.75 g/mol. Its IUPAC name is 2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran
PubChem CID166019883
Molecular FormulaC48H28O
Molecular Weight620.75 g/mol
Exact Mass620.21
IUPAC Name2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2cc3c4c(cc(-c5cccc(-c6ccc7oc8cc9ccccc9cc8c7c6)c5)cc4c2)-c2cc4ccccc4cc2-3)cc1
InChIInChI=1S/C48H28O/c1-2-9-29(10-3-1)37-20-39-21-38(27-45-41-23-33-12-5-4-11-32(33)22-40(41)44(26-37)48(39)45)31-16-8-15-30(19-31)36-17-18-46-42(25-36)43-24-34-13-6-7-14-35(34)28-47(43)49-46/h1-28H
InChIKeyQDALIJSDMOCRIV-UHFFFAOYSA-N
XLogP13.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
CID 174034888
CID 174034888
2-[4-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 146652076
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran
CID 129100719
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163842076
2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran
CID 158865776
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 142487755
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 153473941

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran (CID 166019883) is 2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2cc3c4c(cc(-c5cccc(-c6ccc7oc8cc9ccccc9cc8c7c6)c5)cc4c2)-c2cc4ccccc4cc2-3)cc1.
What is the InChIKey of 2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The InChIKey is QDALIJSDMOCRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O/c1-2-9-29(10-3-1)37-20-39-21-38(27-45-41-23-33-12-5-4-11-32(33)22-40(41)44(26-37)48(39)45)31-16-8-15-30(19-31)36-17-18-46-42(25-36)43-24-34-13-6-7-14-35(34)28-47(43)49-46/h1-28H.
What are the key properties of 2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran?
2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 620.75 g/mol, XLogP of 13.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 166019883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).