4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran

C48H28OS — CID 122425719

IUPAC4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3cc(-c5cccc6c5ccc5oc7ccccc7c56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C48H28OS/c1-2-11-29(12-3-1)46-37-13-4-6-15-39(37)47(40-16-7-5-14-38(40)46)31-22-24-35-34-23-21-30(27-44(34)50-45(35)28-31)32-18-10-19-36-33(32)25-26-43-48(36)41-17-8-9-20-42(41)49-43/h1-28H
InChIKeyRUZZSSVHDINIAE-UHFFFAOYSA-N
MW652.82 g/mol
LogP14.41
Rot. Bonds3

About 4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran

4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 122425719) has the molecular formula C48H28OS and a molecular weight of 652.82 g/mol. Its IUPAC name is 4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran
PubChem CID122425719
Molecular FormulaC48H28OS
Molecular Weight652.82 g/mol
Exact Mass652.19
IUPAC Name4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3cc(-c5cccc6c5ccc5oc7ccccc7c56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C48H28OS/c1-2-11-29(12-3-1)46-37-13-4-6-15-39(37)47(40-16-7-5-14-38(40)46)31-22-24-35-34-23-21-30(27-44(34)50-45(35)28-31)32-18-10-19-36-33(32)25-26-43-48(36)41-17-8-9-20-42(41)49-43/h1-28H
InChIKeyRUZZSSVHDINIAE-UHFFFAOYSA-N
XLogP14.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.82
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

20-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185927
6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286
12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 122415855
9-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran
CID 122425921
3-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzothiophene
CID 118516709
17-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 122426435
10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 166587818
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
6-[10-(2,6-diphenylphenyl)anthracen-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 171447365
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
2-dibenzofuran-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171597375
1-[9,10-bis(3-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]dibenzothiophene;1-(9,10-diphenylanthracen-2-yl)dibenzofuran;1-(9,10-diphenylanthracen-2-yl)dibenzothiophene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(2-phenylphenyl)anthracene;1-[10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracen-2-yl]dibenzofuran
CID 162247966

Frequently Asked Questions

What is the IUPAC name of 4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran (CID 122425719) is 4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3cc(-c5cccc6c5ccc5oc7ccccc7c56)ccc34)c3ccccc23)cc1.
What is the InChIKey of 4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is RUZZSSVHDINIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28OS/c1-2-11-29(12-3-1)46-37-13-4-6-15-39(37)47(40-16-7-5-14-38(40)46)31-22-24-35-34-23-21-30(27-44(34)50-45(35)28-31)32-18-10-19-36-33(32)25-26-43-48(36)41-17-8-9-20-42(41)49-43/h1-28H.
What are the key properties of 4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran?
4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 652.82 g/mol, XLogP of 14.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 122425719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).