3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole

C77H44N4O3 — CID 90291738

IUPAC3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
SMILESc1ccc2c(c1)oc1cccc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7oc8ccccc8c67)nc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7oc8ccccc8c67)c5)ccc43)c12
InChIInChI=1S/C77H44N4O3/c1-7-22-60-49(16-1)55-40-45(34-37-63(55)79(60)66-25-13-31-72-75(66)52-19-4-10-28-69(52)82-72)48-43-58(46-35-38-64-56(41-46)50-17-2-8-23-61(50)80(64)67-26-14-32-73-76(67)53-20-5-11-29-70(53)83-73)78-59(44-48)47-36-39-65-57(42-47)51-18-3-9-24-62(51)81(65)68-27-15-33-74-77(68)54-21-6-12-30-71(54)84-74/h1-44H
InChIKeyWCDPZSRUOZVDND-UHFFFAOYSA-N
MW1073.22 g/mol
LogP21.07
Rot. Bonds6

About 3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole

3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole (PubChem CID 90291738) has the molecular formula C77H44N4O3 and a molecular weight of 1073.22 g/mol. Its IUPAC name is 3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole.

Molecular Properties

Compound Name3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
PubChem CID90291738
Molecular FormulaC77H44N4O3
Molecular Weight1073.22 g/mol
Exact Mass1072.34
IUPAC Name3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
SMILESc1ccc2c(c1)oc1cccc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7oc8ccccc8c67)nc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7oc8ccccc8c67)c5)ccc43)c12
InChIInChI=1S/C77H44N4O3/c1-7-22-60-49(16-1)55-40-45(34-37-63(55)79(60)66-25-13-31-72-75(66)52-19-4-10-28-69(52)82-72)48-43-58(46-35-38-64-56(41-46)50-17-2-8-23-61(50)80(64)67-26-14-32-73-76(67)53-20-5-11-29-70(53)83-73)78-59(44-48)47-36-39-65-57(42-47)51-18-3-9-24-62(51)81(65)68-27-15-33-74-77(68)54-21-6-12-30-71(54)84-74/h1-44H
InChIKeyWCDPZSRUOZVDND-UHFFFAOYSA-N
XLogP21.07
TPSA67.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.22
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
CID 118504741
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
9-dibenzofuran-1-yl-6-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087247
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580
9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283
8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole
CID 167243807
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole?
The IUPAC name of 3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole (CID 90291738) is 3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole.
What is the SMILES notation for 3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole?
The canonical SMILES for 3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole is c1ccc2c(c1)oc1cccc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7oc8ccccc8c67)nc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7oc8ccccc8c67)c5)ccc43)c12.
What is the InChIKey of 3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole?
The InChIKey is WCDPZSRUOZVDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H44N4O3/c1-7-22-60-49(16-1)55-40-45(34-37-63(55)79(60)66-25-13-31-72-75(66)52-19-4-10-28-69(52)82-72)48-43-58(46-35-38-64-56(41-46)50-17-2-8-23-61(50)80(64)67-26-14-32-73-76(67)53-20-5-11-29-70(53)83-73)78-59(44-48)47-36-39-65-57(42-47)51-18-3-9-24-62(51)81(65)68-27-15-33-74-77(68)54-21-6-12-30-71(54)84-74/h1-44H.
What are the key properties of 3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole?
3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole has a molecular weight of 1073.22 g/mol, XLogP of 21.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole is sourced from PubChem (CID 90291738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).