3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole

C72H43NO2 — CID 87156828

IUPAC3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)ccc4n5-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1
InChIInChI=1S/C72H43NO2/c1-3-16-44(17-4-1)51-26-12-30-60-62-32-14-28-53(71(62)74-69(51)60)48-35-38-67-65(42-48)66-43-49(54-29-15-33-63-61-31-13-27-52(70(61)75-72(54)63)45-18-5-2-6-19-45)36-39-68(66)73(67)50-21-11-20-46(40-50)47-34-37-59-57-24-8-7-22-55(57)56-23-9-10-25-58(56)64(59)41-47/h1-43H
InChIKeyGQKDKJHBCWSPAY-UHFFFAOYSA-N
MW954.14 g/mol
LogP20.38
Rot. Bonds6

About 3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole

3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole (PubChem CID 87156828) has the molecular formula C72H43NO2 and a molecular weight of 954.14 g/mol. Its IUPAC name is 3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
PubChem CID87156828
Molecular FormulaC72H43NO2
Molecular Weight954.14 g/mol
Exact Mass953.33
IUPAC Name3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)ccc4n5-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1
InChIInChI=1S/C72H43NO2/c1-3-16-44(17-4-1)51-26-12-30-60-62-32-14-28-53(71(62)74-69(51)60)48-35-38-67-65(42-48)66-43-49(54-29-15-33-63-61-31-13-27-52(70(61)75-72(54)63)45-18-5-2-6-19-45)36-39-68(66)73(67)50-21-11-20-46(40-50)47-34-37-59-57-24-8-7-22-55(57)56-23-9-10-25-58(56)64(59)41-47/h1-43H
InChIKeyGQKDKJHBCWSPAY-UHFFFAOYSA-N
XLogP20.38
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.14
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159217991
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156606
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90125897
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?
The IUPAC name of 3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole (CID 87156828) is 3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole.
What is the SMILES notation for 3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?
The canonical SMILES for 3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole is c1ccc(-c2cccc3c2oc2c(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)ccc4n5-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.
What is the InChIKey of 3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?
The InChIKey is GQKDKJHBCWSPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43NO2/c1-3-16-44(17-4-1)51-26-12-30-60-62-32-14-28-53(71(62)74-69(51)60)48-35-38-67-65(42-48)66-43-49(54-29-15-33-63-61-31-13-27-52(70(61)75-72(54)63)45-18-5-2-6-19-45)36-39-68(66)73(67)50-21-11-20-46(40-50)47-34-37-59-57-24-8-7-22-55(57)56-23-9-10-25-58(56)64(59)41-47/h1-43H.
What are the key properties of 3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?
3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole has a molecular weight of 954.14 g/mol, XLogP of 20.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole is sourced from PubChem (CID 87156828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).