10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole

C47H30S — CID 144856993

IUPAC10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4sc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C47H30S/c1-4-16-31(17-5-1)43-35-22-10-12-24-37(35)44(38-25-13-11-23-36(38)43)32-28-29-39-41(30-32)47(33-18-6-2-7-19-33,34-20-8-3-9-21-34)45-40-26-14-15-27-42(40)48-46(39)45/h1-30H
InChIKeyHFQCFJCBHHEWHH-UHFFFAOYSA-N
MW626.82 g/mol
LogP12.90
Rot. Bonds4

About 10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole

10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole (PubChem CID 144856993) has the molecular formula C47H30S and a molecular weight of 626.82 g/mol. Its IUPAC name is 10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole.

Molecular Properties

Compound Name10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole
PubChem CID144856993
Molecular FormulaC47H30S
Molecular Weight626.82 g/mol
Exact Mass626.21
IUPAC Name10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4sc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C47H30S/c1-4-16-31(17-5-1)43-35-22-10-12-24-37(35)44(38-25-13-11-23-36(38)43)32-28-29-39-41(30-32)47(33-18-6-2-7-19-33,34-20-8-3-9-21-34)45-40-26-14-15-27-42(40)48-46(39)45/h1-30H
InChIKeyHFQCFJCBHHEWHH-UHFFFAOYSA-N
XLogP12.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.82
LogP ≤ 512.90
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

3-(10-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylanthracen-9-yl)pyridine
CID 126652979
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
CID 144857145
N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156550262
N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 156550221
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylpyrimidine
CID 134529343
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
CID 144857168
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737939
N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline
CID 134551410
9,9-dimethyl-6-(10-phenylanthracen-9-yl)-24-thiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 130212026
4-(5-phenylpyren-1-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]
CID 121307991

Frequently Asked Questions

What is the IUPAC name of 10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole?
The IUPAC name of 10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole (CID 144856993) is 10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole.
What is the SMILES notation for 10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole?
The canonical SMILES for 10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4sc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole?
The InChIKey is HFQCFJCBHHEWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30S/c1-4-16-31(17-5-1)43-35-22-10-12-24-37(35)44(38-25-13-11-23-36(38)43)32-28-29-39-41(30-32)47(33-18-6-2-7-19-33,34-20-8-3-9-21-34)45-40-26-14-15-27-42(40)48-46(39)45/h1-30H.
What are the key properties of 10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole?
10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole has a molecular weight of 626.82 g/mol, XLogP of 12.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole is sourced from PubChem (CID 144856993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).