9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole

C58H40N2S2 — CID 58038560

IUPAC9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4sc5ccc(-c6cccc(-c7ccc8sc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)cc9c8c7)c6)cc5c4c3)ccc21
InChIInChI=1S/C58H40N2S2/c1-3-59-51-14-7-5-12-43(51)45-29-37(16-22-53(45)59)41-20-26-57-49(33-41)47-31-39(18-24-55(47)61-57)35-10-9-11-36(28-35)40-19-25-56-48(32-40)50-34-42(21-27-58(50)62-56)38-17-23-54-46(30-38)44-13-6-8-15-52(44)60(54)4-2/h5-34H,3-4H2,1-2H3
InChIKeyHFEUPHBYMBWJKF-UHFFFAOYSA-N
MW829.11 g/mol
LogP17.35
Rot. Bonds6

About 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole

9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole (PubChem CID 58038560) has the molecular formula C58H40N2S2 and a molecular weight of 829.11 g/mol. Its IUPAC name is 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
PubChem CID58038560
Molecular FormulaC58H40N2S2
Molecular Weight829.11 g/mol
Exact Mass828.26
IUPAC Name9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4sc5ccc(-c6cccc(-c7ccc8sc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)cc9c8c7)c6)cc5c4c3)ccc21
InChIInChI=1S/C58H40N2S2/c1-3-59-51-14-7-5-12-43(51)45-29-37(16-22-53(45)59)41-20-26-57-49(33-41)47-31-39(18-24-55(47)61-57)35-10-9-11-36(28-35)40-19-25-56-48(32-40)50-34-42(21-27-58(50)62-56)38-17-23-54-46(30-38)44-13-6-8-15-52(44)60(54)4-2/h5-34H,3-4H2,1-2H3
InChIKeyHFEUPHBYMBWJKF-UHFFFAOYSA-N
XLogP17.35
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.11
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 163418065
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
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3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
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9-ethyl-3-(3-pyridin-2-ylphenyl)carbazole
CID 58435161
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
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
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9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
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9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole (CID 58038560) is 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole is CCn1c2ccccc2c2cc(-c3ccc4sc5ccc(-c6cccc(-c7ccc8sc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)cc9c8c7)c6)cc5c4c3)ccc21.
What is the InChIKey of 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
The InChIKey is HFEUPHBYMBWJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2S2/c1-3-59-51-14-7-5-12-43(51)45-29-37(16-22-53(45)59)41-20-26-57-49(33-41)47-31-39(18-24-55(47)61-57)35-10-9-11-36(28-35)40-19-25-56-48(32-40)50-34-42(21-27-58(50)62-56)38-17-23-54-46(30-38)44-13-6-8-15-52(44)60(54)4-2/h5-34H,3-4H2,1-2H3.
What are the key properties of 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole has a molecular weight of 829.11 g/mol, XLogP of 17.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 58038560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).