3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene

C48H30S — CID 59413088

IUPAC3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene
SMILESc1ccc(-c2c(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)ccc3c2sc2ccccc23)cc1
InChIInChI=1S/C48H30S/c1-2-14-32(15-3-1)47-37(27-28-43-38-19-10-11-24-44(38)49-48(43)47)34-17-12-18-35(30-34)45-39-20-6-8-22-41(39)46(42-23-9-7-21-40(42)45)36-26-25-31-13-4-5-16-33(31)29-36/h1-30H
InChIKeyWBWDRGGUVQJDMP-UHFFFAOYSA-N
MW638.84 g/mol
LogP14.18
Rot. Bonds4

About 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene

3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene (PubChem CID 59413088) has the molecular formula C48H30S and a molecular weight of 638.84 g/mol. Its IUPAC name is 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene.

Molecular Properties

Compound Name3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene
PubChem CID59413088
Molecular FormulaC48H30S
Molecular Weight638.84 g/mol
Exact Mass638.21
IUPAC Name3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene
SMILESc1ccc(-c2c(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)ccc3c2sc2ccccc23)cc1
InChIInChI=1S/C48H30S/c1-2-14-32(15-3-1)47-37(27-28-43-38-19-10-11-24-44(38)49-48(43)47)34-17-12-18-35(30-34)45-39-20-6-8-22-41(39)46(42-23-9-7-21-40(42)45)36-26-25-31-13-4-5-16-33(31)29-36/h1-30H
InChIKeyWBWDRGGUVQJDMP-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-(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
16-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186367
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole
CID 122425735
4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene
CID 174273152
14-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130190792
12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-i]phenanthridine
CID 129124535
9-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130186430
9-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 118503751
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
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
1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-[1]benzothiolo[2,3-c]pyridine;1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-[1]benzothiolo[2,3-c]pyridine;1-(9,10-diphenylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 158257639
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene?
The IUPAC name of 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene (CID 59413088) is 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene.
What is the SMILES notation for 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene?
The canonical SMILES for 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene is c1ccc(-c2c(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)ccc3c2sc2ccccc23)cc1.
What is the InChIKey of 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene?
The InChIKey is WBWDRGGUVQJDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30S/c1-2-14-32(15-3-1)47-37(27-28-43-38-19-10-11-24-44(38)49-48(43)47)34-17-12-18-35(30-34)45-39-20-6-8-22-41(39)46(42-23-9-7-21-40(42)45)36-26-25-31-13-4-5-16-33(31)29-36/h1-30H.
What are the key properties of 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene?
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene 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 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene is sourced from PubChem (CID 59413088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).