4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene

C48H30S — CID 58323031

IUPAC4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cccc(-c5cccc6c5sc5ccccc56)c34)c2)cc1
InChIInChI=1S/C48H30S/c1-2-14-31(15-3-1)33-18-10-19-34(30-33)45-38-22-6-7-23-39(38)46(37-24-11-17-32-16-4-5-20-35(32)37)43-28-12-25-40(47(43)45)42-27-13-26-41-36-21-8-9-29-44(36)49-48(41)42/h1-30H
InChIKeyIPOWPHLUKLEBJY-UHFFFAOYSA-N
MW638.84 g/mol
LogP14.18
Rot. Bonds4

About 4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene

4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene (PubChem CID 58323031) has the molecular formula C48H30S and a molecular weight of 638.84 g/mol. Its IUPAC name is 4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene.

Molecular Properties

Compound Name4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene
PubChem CID58323031
Molecular FormulaC48H30S
Molecular Weight638.84 g/mol
Exact Mass638.21
IUPAC Name4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cccc(-c5cccc6c5sc5ccccc56)c34)c2)cc1
InChIInChI=1S/C48H30S/c1-2-14-31(15-3-1)33-18-10-19-34(30-33)45-38-22-6-7-23-39(38)46(37-24-11-17-32-16-4-5-20-35(32)37)43-28-12-25-40(47(43)45)42-27-13-26-41-36-21-8-9-29-44(36)49-48(41)42/h1-30H
InChIKeyIPOWPHLUKLEBJY-UHFFFAOYSA-N
XLogP14.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.84
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
CID 58323324
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122426136
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 159764501
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene
CID 160745128
5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 122426610
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442371
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
CID 122426411
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249
4-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
CID 161060928
1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
CID 163477689
1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene
CID 58322712
19-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186299

Frequently Asked Questions

What is the IUPAC name of 4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene?
The IUPAC name of 4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene (CID 58323031) is 4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene.
What is the SMILES notation for 4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene?
The canonical SMILES for 4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cccc(-c5cccc6c5sc5ccccc56)c34)c2)cc1.
What is the InChIKey of 4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene?
The InChIKey is IPOWPHLUKLEBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30S/c1-2-14-31(15-3-1)33-18-10-19-34(30-33)45-38-22-6-7-23-39(38)46(37-24-11-17-32-16-4-5-20-35(32)37)43-28-12-25-40(47(43)45)42-27-13-26-41-36-21-8-9-29-44(36)49-48(41)42/h1-30H.
What are the key properties of 4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene?
4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene has a molecular weight of 638.84 g/mol, XLogP of 14.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene is sourced from PubChem (CID 58323031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).