9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole

C38H23NS — CID 90180755

IUPAC9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2cc3c(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cccc3cc2c1
InChIInChI=1S/C38H23NS/c1-2-10-25-22-32-26(21-24(25)9-1)11-7-17-35(32)39-34-16-5-3-12-29(34)33-23-27(19-20-36(33)39)28-14-8-15-31-30-13-4-6-18-37(30)40-38(28)31/h1-23H
InChIKeyINYQPNYFTMJDJJ-UHFFFAOYSA-N
MW525.68 g/mol
LogP11.12
Rot. Bonds2

About 9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole

9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole (PubChem CID 90180755) has the molecular formula C38H23NS and a molecular weight of 525.68 g/mol. Its IUPAC name is 9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole
PubChem CID90180755
Molecular FormulaC38H23NS
Molecular Weight525.68 g/mol
Exact Mass525.16
IUPAC Name9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2cc3c(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cccc3cc2c1
InChIInChI=1S/C38H23NS/c1-2-10-25-22-32-26(21-24(25)9-1)11-7-17-35(32)39-34-16-5-3-12-29(34)33-23-27(19-20-36(33)39)28-14-8-15-31-30-13-4-6-18-37(30)40-38(28)31/h1-23H
InChIKeyINYQPNYFTMJDJJ-UHFFFAOYSA-N
XLogP11.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.68
LogP ≤ 511.12
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

9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole
CID 87156422
3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
CID 87156674
10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375388
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
3-dibenzothiophen-4-yl-9-perylen-2-ylcarbazole
CID 87156361
5-[5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621293
3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534088
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243986
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376

Frequently Asked Questions

What is the IUPAC name of 9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole (CID 90180755) is 9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole is c1ccc2cc3c(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cccc3cc2c1.
What is the InChIKey of 9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole?
The InChIKey is INYQPNYFTMJDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NS/c1-2-10-25-22-32-26(21-24(25)9-1)11-7-17-35(32)39-34-16-5-3-12-29(34)33-23-27(19-20-36(33)39)28-14-8-15-31-30-13-4-6-18-37(30)40-38(28)31/h1-23H.
What are the key properties of 9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole?
9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole has a molecular weight of 525.68 g/mol, XLogP of 11.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 90180755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).