2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole

C68H41NO2 — CID 87156561

IUPAC2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c6cc(-c7cccc8c7oc7ccccc78)ccc6c6ccc(-c7cccc8c7oc7ccccc78)cc65)c4)ccc23)cc1
InChIInChI=1S/C68H41NO2/c1-3-16-42(17-4-1)65-55-24-7-8-25-56(55)66(43-18-5-2-6-19-43)60-39-45(32-37-57(60)65)44-20-13-21-48(38-44)69-61-40-46(49-26-14-28-58-53-22-9-11-30-63(53)70-67(49)58)33-35-51(61)52-36-34-47(41-62(52)69)50-27-15-29-59-54-23-10-12-31-64(54)71-68(50)59/h1-41H
InChIKeyYANCCDXMSHWYIP-UHFFFAOYSA-N
MW904.08 g/mol
LogP19.22
Rot. Bonds6

About 2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole

2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole (PubChem CID 87156561) has the molecular formula C68H41NO2 and a molecular weight of 904.08 g/mol. Its IUPAC name is 2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
PubChem CID87156561
Molecular FormulaC68H41NO2
Molecular Weight904.08 g/mol
Exact Mass903.31
IUPAC Name2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c6cc(-c7cccc8c7oc7ccccc78)ccc6c6ccc(-c7cccc8c7oc7ccccc78)cc65)c4)ccc23)cc1
InChIInChI=1S/C68H41NO2/c1-3-16-42(17-4-1)65-55-24-7-8-25-56(55)66(43-18-5-2-6-19-43)60-39-45(32-37-57(60)65)44-20-13-21-48(38-44)69-61-40-46(49-26-14-28-58-53-22-9-11-30-63(53)70-67(49)58)33-35-51(61)52-36-34-47(41-62(52)69)50-27-15-29-59-54-23-10-12-31-64(54)71-68(50)59/h1-41H
InChIKeyYANCCDXMSHWYIP-UHFFFAOYSA-N
XLogP19.22
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.08
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;3-[3-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole
CID 158195291
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
2-dibenzofuran-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159084484
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156706
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294

Frequently Asked Questions

What is the IUPAC name of 2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole?
The IUPAC name of 2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole (CID 87156561) is 2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole.
What is the SMILES notation for 2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole?
The canonical SMILES for 2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c6cc(-c7cccc8c7oc7ccccc78)ccc6c6ccc(-c7cccc8c7oc7ccccc78)cc65)c4)ccc23)cc1.
What is the InChIKey of 2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole?
The InChIKey is YANCCDXMSHWYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41NO2/c1-3-16-42(17-4-1)65-55-24-7-8-25-56(55)66(43-18-5-2-6-19-43)60-39-45(32-37-57(60)65)44-20-13-21-48(38-44)69-61-40-46(49-26-14-28-58-53-22-9-11-30-63(53)70-67(49)58)33-35-51(61)52-36-34-47(41-62(52)69)50-27-15-29-59-54-23-10-12-31-64(54)71-68(50)59/h1-41H.
What are the key properties of 2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole?
2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole has a molecular weight of 904.08 g/mol, XLogP of 19.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole is sourced from PubChem (CID 87156561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).