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

C58H40N2O2 — CID 58038528

IUPAC9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4oc5ccc(-c6cccc(-c7ccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)cc9c8c7)c6)cc5c4c3)ccc21
InChIInChI=1S/C58H40N2O2/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
InChIKeyFTQHWEWESCFSDE-UHFFFAOYSA-N
MW796.97 g/mol
LogP16.41
Rot. Bonds6

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

9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 58038528) has the molecular formula C58H40N2O2 and a molecular weight of 796.97 g/mol. Its IUPAC name is 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole
PubChem CID58038528
Molecular FormulaC58H40N2O2
Molecular Weight796.97 g/mol
Exact Mass796.31
IUPAC Name9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4oc5ccc(-c6cccc(-c7ccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)cc9c8c7)c6)cc5c4c3)ccc21
InChIInChI=1S/C58H40N2O2/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
InChIKeyFTQHWEWESCFSDE-UHFFFAOYSA-N
XLogP16.41
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.97
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 72707587
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CID 72707653
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CID 145971950
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CID 162649735
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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole (CID 58038528) is 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole is CCn1c2ccccc2c2cc(-c3ccc4oc5ccc(-c6cccc(-c7ccc8oc9ccc(-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)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole?
The InChIKey is FTQHWEWESCFSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2O2/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)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole?
9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 796.97 g/mol, XLogP of 16.41, 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)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 58038528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).