3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole

C60H39N3S — CID 67121653

IUPAC3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
SMILESC1=Cc2c(n(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)c3ccccc23)CC1
InChIInChI=1S/C60H39N3S/c1-6-25-53-45(18-1)46-19-2-7-26-54(46)62(53)42-30-32-57-51(36-42)52-37-43(63-55-27-8-3-20-47(55)48-21-4-9-28-56(48)63)31-33-58(52)61(57)41-17-12-15-39(35-41)38-14-11-16-40(34-38)44-23-13-24-50-49-22-5-10-29-59(49)64-60(44)50/h1-8,10-27,29-37H,9,28H2
InChIKeyQVJTZJQAPQZRMB-UHFFFAOYSA-N
MW834.06 g/mol
LogP16.49
Rot. Bonds5

About 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole

3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole (PubChem CID 67121653) has the molecular formula C60H39N3S and a molecular weight of 834.06 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
PubChem CID67121653
Molecular FormulaC60H39N3S
Molecular Weight834.06 g/mol
Exact Mass833.29
IUPAC Name3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
SMILESC1=Cc2c(n(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)c3ccccc23)CC1
InChIInChI=1S/C60H39N3S/c1-6-25-53-45(18-1)46-19-2-7-26-54(46)62(53)42-30-32-57-51(36-42)52-37-43(63-55-27-8-3-20-47(55)48-21-4-9-28-56(48)63)31-33-58(52)61(57)41-17-12-15-39(35-41)38-14-11-16-40(34-38)44-23-13-24-50-49-22-5-10-29-59(49)64-60(44)50/h1-8,10-27,29-37H,9,28H2
InChIKeyQVJTZJQAPQZRMB-UHFFFAOYSA-N
XLogP16.49
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.06
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole
CID 126659379
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166807262
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 170203450
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-[9-[3-(1,2-dihydrocarbazol-9-yl)phenyl]carbazol-4-yl]-9-methylcarbazole
CID 163941153
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole (CID 67121653) is 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole is C1=Cc2c(n(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)c3ccccc23)CC1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole?
The InChIKey is QVJTZJQAPQZRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3S/c1-6-25-53-45(18-1)46-19-2-7-26-54(46)62(53)42-30-32-57-51(36-42)52-37-43(63-55-27-8-3-20-47(55)48-21-4-9-28-56(48)63)31-33-58(52)61(57)41-17-12-15-39(35-41)38-14-11-16-40(34-38)44-23-13-24-50-49-22-5-10-29-59(49)64-60(44)50/h1-8,10-27,29-37H,9,28H2.
What are the key properties of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole?
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole has a molecular weight of 834.06 g/mol, XLogP of 16.49, 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-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 67121653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).