3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole

C60H37N3S — CID 71232534

IUPAC3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H37N3S/c1-3-13-38(14-4-1)39-23-28-55-48(33-39)49-34-40(24-29-56(49)61(55)42-15-5-2-6-16-42)41-25-30-57-50(35-41)51-36-43(62-53-20-10-7-17-45(53)46-18-8-11-21-54(46)62)26-31-58(51)63(57)44-27-32-60-52(37-44)47-19-9-12-22-59(47)64-60/h1-37H
InChIKeyCZEFNCSUSJFSGN-UHFFFAOYSA-N
MW832.04 g/mol
LogP16.68
Rot. Bonds5

About 3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole

3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole (PubChem CID 71232534) has the molecular formula C60H37N3S and a molecular weight of 832.04 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
PubChem CID71232534
Molecular FormulaC60H37N3S
Molecular Weight832.04 g/mol
Exact Mass831.27
IUPAC Name3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H37N3S/c1-3-13-38(14-4-1)39-23-28-55-48(33-39)49-34-40(24-29-56(49)61(55)42-15-5-2-6-16-42)41-25-30-57-50(35-41)51-36-43(62-53-20-10-7-17-45(53)46-18-8-11-21-54(46)62)26-31-58(51)63(57)44-27-32-60-52(37-44)47-19-9-12-22-59(47)64-60/h1-37H
InChIKeyCZEFNCSUSJFSGN-UHFFFAOYSA-N
XLogP16.68
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.04
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-(9-phenylcarbazol-3-yl)-9-(18-phenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)carbazole
CID 135171603
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
CID 144619443
CID 144619443
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
3-(18-carbazol-9-yl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-6,9-diphenylcarbazole
CID 59147343
3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazole;ethane;methanethiol
CID 144644614

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole (CID 71232534) is 3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole?
The InChIKey is CZEFNCSUSJFSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3S/c1-3-13-38(14-4-1)39-23-28-55-48(33-39)49-34-40(24-29-56(49)61(55)42-15-5-2-6-16-42)41-25-30-57-50(35-41)51-36-43(62-53-20-10-7-17-45(53)46-18-8-11-21-54(46)62)26-31-58(51)63(57)44-27-32-60-52(37-44)47-19-9-12-22-59(47)64-60/h1-37H.
What are the key properties of 3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole?
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole has a molecular weight of 832.04 g/mol, XLogP of 16.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 71232534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).