6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole

C55H37NS — CID 123953575

IUPAC6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole
SMILESCC12C=CC=CC1c1cc(-c3cccc4c3sc3ccccc34)ccc1N2c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C55H37NS/c1-55-33-14-13-27-48(55)47-34-36(37-25-15-26-46-40-20-11-12-28-51(40)57-54(37)46)29-31-50(47)56(55)49-32-30-45(38-18-5-6-19-39(38)49)53-43-23-9-7-21-41(43)52(35-16-3-2-4-17-35)42-22-8-10-24-44(42)53/h2-34,48H,1H3
InChIKeyOMLOPAPQNPKJMP-UHFFFAOYSA-N
MW743.98 g/mol
LogP15.64
Rot. Bonds4

About 6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole

6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole (PubChem CID 123953575) has the molecular formula C55H37NS and a molecular weight of 743.98 g/mol. Its IUPAC name is 6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole.

Molecular Properties

Compound Name6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole
PubChem CID123953575
Molecular FormulaC55H37NS
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC Name6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole
SMILESCC12C=CC=CC1c1cc(-c3cccc4c3sc3ccccc34)ccc1N2c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C55H37NS/c1-55-33-14-13-27-48(55)47-34-36(37-25-15-26-46-40-20-11-12-28-51(40)57-54(37)46)29-31-50(47)56(55)49-32-30-45(38-18-5-6-19-39(38)49)53-43-23-9-7-21-41(43)52(35-16-3-2-4-17-35)42-22-8-10-24-44(42)53/h2-34,48H,1H3
InChIKeyOMLOPAPQNPKJMP-UHFFFAOYSA-N
XLogP15.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 515.64
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

4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 164976675
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5a-methyl-N-phenyl-9aH-dibenzothiophen-2-amine
CID 163820623
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
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
2-[6-(N-(4-dibenzothiophen-4-ylphenyl)anilino)-6-methylcyclohexa-2,4-dien-1-yl]-N,N-diphenylaniline
CID 167086442
4-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758491
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
3-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzothiophene
CID 118516709
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4b,8a-dihydrophenanthren-9-amine
CID 118486980
2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156510

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole?
The IUPAC name of 6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole (CID 123953575) is 6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole.
What is the SMILES notation for 6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole?
The canonical SMILES for 6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole is CC12C=CC=CC1c1cc(-c3cccc4c3sc3ccccc34)ccc1N2c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc12.
What is the InChIKey of 6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole?
The InChIKey is OMLOPAPQNPKJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS/c1-55-33-14-13-27-48(55)47-34-36(37-25-15-26-46-40-20-11-12-28-51(40)57-54(37)46)29-31-50(47)56(55)49-32-30-45(38-18-5-6-19-39(38)49)53-43-23-9-7-21-41(43)52(35-16-3-2-4-17-35)42-22-8-10-24-44(42)53/h2-34,48H,1H3.
What are the key properties of 6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole?
6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole has a molecular weight of 743.98 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole is sourced from PubChem (CID 123953575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).