2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole

C62H37NS2 — CID 87156510

IUPAC2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-n4c5cc(-c6cccc7c6sc6ccccc67)ccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)ccc23)cc1
InChIInChI=1S/C62H37NS2/c1-3-15-38(16-4-1)59-49-21-7-8-22-50(49)60(39-17-5-2-6-18-39)54-37-42(31-34-51(54)59)63-55-35-40(43-23-13-25-52-47-19-9-11-27-57(47)64-61(43)52)29-32-45(55)46-33-30-41(36-56(46)63)44-24-14-26-53-48-20-10-12-28-58(48)65-62(44)53/h1-37H
InChIKeyNAYAQTWAAVXWOV-UHFFFAOYSA-N
MW860.12 g/mol
LogP18.49
Rot. Bonds5

About 2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole

2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole (PubChem CID 87156510) has the molecular formula C62H37NS2 and a molecular weight of 860.12 g/mol. Its IUPAC name is 2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole.

Molecular Properties

Compound Name2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole
PubChem CID87156510
Molecular FormulaC62H37NS2
Molecular Weight860.12 g/mol
Exact Mass859.24
IUPAC Name2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-n4c5cc(-c6cccc7c6sc6ccccc67)ccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)ccc23)cc1
InChIInChI=1S/C62H37NS2/c1-3-15-38(16-4-1)59-49-21-7-8-22-50(49)60(39-17-5-2-6-18-39)54-37-42(31-34-51(54)59)63-55-35-40(43-23-13-25-52-47-19-9-11-27-57(47)64-61(43)52)29-32-45(55)46-33-30-41(36-56(46)63)44-24-14-26-53-48-20-10-12-28-58(48)65-62(44)53/h1-37H
InChIKeyNAYAQTWAAVXWOV-UHFFFAOYSA-N
XLogP18.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.12
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156373
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 87156566
9-[4-(10-phenylanthracen-9-yl)phenyl]-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole
CID 87156483
3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156604
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-di(dibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 161294755
9-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[4-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]-3-dibenzothiophen-4-ylcarbazole
CID 158103298
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296

Frequently Asked Questions

What is the IUPAC name of 2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole?
The IUPAC name of 2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole (CID 87156510) is 2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole.
What is the SMILES notation for 2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole?
The canonical SMILES for 2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-n4c5cc(-c6cccc7c6sc6ccccc67)ccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)ccc23)cc1.
What is the InChIKey of 2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole?
The InChIKey is NAYAQTWAAVXWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NS2/c1-3-15-38(16-4-1)59-49-21-7-8-22-50(49)60(39-17-5-2-6-18-39)54-37-42(31-34-51(54)59)63-55-35-40(43-23-13-25-52-47-19-9-11-27-57(47)64-61(43)52)29-32-45(55)46-33-30-41(36-56(46)63)44-24-14-26-53-48-20-10-12-28-58(48)65-62(44)53/h1-37H.
What are the key properties of 2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole?
2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole has a molecular weight of 860.12 g/mol, XLogP of 18.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole is sourced from PubChem (CID 87156510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).