9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole

C60H36N2S — CID 59220859

IUPAC9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole
SMILESc1ccc2cc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4ccc5sc6ccccc6c5c4)c4ccc(-n5c6ccccc6c6ccccc65)cc34)ccc2c1
InChIInChI=1S/C60H36N2S/c1-2-14-38-33-39(26-25-37(38)13-1)59-48-30-28-42(62-55-22-10-5-17-45(55)46-18-6-11-23-56(46)62)36-52(48)60(40-27-32-58-50(34-40)47-19-7-12-24-57(47)63-58)49-31-29-41(35-51(49)59)61-53-20-8-3-15-43(53)44-16-4-9-21-54(44)61/h1-36H
InChIKeyKHYHUQUSMFJEQV-UHFFFAOYSA-N
MW817.03 g/mol
LogP17.04
Rot. Bonds4

About 9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole

9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole (PubChem CID 59220859) has the molecular formula C60H36N2S and a molecular weight of 817.03 g/mol. Its IUPAC name is 9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole.

Molecular Properties

Compound Name9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole
PubChem CID59220859
Molecular FormulaC60H36N2S
Molecular Weight817.03 g/mol
Exact Mass816.26
IUPAC Name9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole
SMILESc1ccc2cc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4ccc5sc6ccccc6c5c4)c4ccc(-n5c6ccccc6c6ccccc65)cc34)ccc2c1
InChIInChI=1S/C60H36N2S/c1-2-14-38-33-39(26-25-37(38)13-1)59-48-30-28-42(62-55-22-10-5-17-45(55)46-18-6-11-23-56(46)62)36-52(48)60(40-27-32-58-50(34-40)47-19-7-12-24-57(47)63-58)49-31-29-41(35-51(49)59)61-53-20-8-3-15-43(53)44-16-4-9-21-54(44)61/h1-36H
InChIKeyKHYHUQUSMFJEQV-UHFFFAOYSA-N
XLogP17.04
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.03
LogP ≤ 517.04
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

9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
CID 144619443
CID 144619443
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506
3-dibenzothiophen-2-yl-9-(6-methylnaphthalen-2-yl)carbazole
CID 145167239
6-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122427429
2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole
CID 130232567
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole?
The IUPAC name of 9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole (CID 59220859) is 9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole.
What is the SMILES notation for 9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole?
The canonical SMILES for 9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole is c1ccc2cc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4ccc5sc6ccccc6c5c4)c4ccc(-n5c6ccccc6c6ccccc65)cc34)ccc2c1.
What is the InChIKey of 9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole?
The InChIKey is KHYHUQUSMFJEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2S/c1-2-14-38-33-39(26-25-37(38)13-1)59-48-30-28-42(62-55-22-10-5-17-45(55)46-18-6-11-23-56(46)62)36-52(48)60(40-27-32-58-50(34-40)47-19-7-12-24-57(47)63-58)49-31-29-41(35-51(49)59)61-53-20-8-3-15-43(53)44-16-4-9-21-54(44)61/h1-36H.
What are the key properties of 9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole?
9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole has a molecular weight of 817.03 g/mol, XLogP of 17.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole is sourced from PubChem (CID 59220859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).