9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole

C44H27NS — CID 87156422

IUPAC9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc3cc2c1
InChIInChI=1S/C44H27NS/c1-3-12-33-29(10-1)26-30-11-2-4-13-34(30)43(33)28-20-23-32(24-21-28)45-40-18-7-5-14-36(40)39-27-31(22-25-41(39)45)35-16-9-17-38-37-15-6-8-19-42(37)46-44(35)38/h1-27H
InChIKeyMFDXXQWAFHXTQZ-UHFFFAOYSA-N
MW601.77 g/mol
LogP12.79
Rot. Bonds3

About 9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole

9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole (PubChem CID 87156422) has the molecular formula C44H27NS and a molecular weight of 601.77 g/mol. Its IUPAC name is 9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole
PubChem CID87156422
Molecular FormulaC44H27NS
Molecular Weight601.77 g/mol
Exact Mass601.19
IUPAC Name9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc3cc2c1
InChIInChI=1S/C44H27NS/c1-3-12-33-29(10-1)26-30-11-2-4-13-34(30)43(33)28-20-23-32(24-21-28)45-40-18-7-5-14-36(40)39-27-31(22-25-41(39)45)35-16-9-17-38-37-15-6-8-19-42(37)46-44(35)38/h1-27H
InChIKeyMFDXXQWAFHXTQZ-UHFFFAOYSA-N
XLogP12.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.77
LogP ≤ 512.79
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

3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
CID 87156674
3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156604
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 87156566
7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole
CID 126579960
9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole
CID 90180755
3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 160992916
3-(6-phenanthren-2-yldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156657
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
3-dibenzothiophen-4-yl-9-perylen-2-ylcarbazole
CID 87156361
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238

Frequently Asked Questions

What is the IUPAC name of 9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole (CID 87156422) is 9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole is c1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc3cc2c1.
What is the InChIKey of 9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole?
The InChIKey is MFDXXQWAFHXTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NS/c1-3-12-33-29(10-1)26-30-11-2-4-13-34(30)43(33)28-20-23-32(24-21-28)45-40-18-7-5-14-36(40)39-27-31(22-25-41(39)45)35-16-9-17-38-37-15-6-8-19-42(37)46-44(35)38/h1-27H.
What are the key properties of 9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole?
9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole has a molecular weight of 601.77 g/mol, XLogP of 12.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 87156422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).