3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole

C72H43N3O2 — CID 123419299

IUPAC3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10cc(-c%11cccc(-c%12ccc%13oc%14ccccc%14c%13c%12)c%11)ccc%109)ccc87)cc6c5c4)ccc32)cc1
InChIInChI=1S/C72H43N3O2/c1-2-15-50(16-3-1)73-63-21-8-4-17-53(63)57-39-47(26-31-66(57)73)49-28-35-71-61(41-49)62-43-52(30-36-72(62)77-71)75-65-23-10-6-19-55(65)59-42-51(29-33-68(59)75)74-64-22-9-5-18-54(64)58-38-46(25-32-67(58)74)44-13-12-14-45(37-44)48-27-34-70-60(40-48)56-20-7-11-24-69(56)76-70/h1-43H
InChIKeyIUJOEPPVUHBFJZ-UHFFFAOYSA-N
MW982.16 g/mol
LogP19.78
Rot. Bonds6

About 3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole

3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole (PubChem CID 123419299) has the molecular formula C72H43N3O2 and a molecular weight of 982.16 g/mol. Its IUPAC name is 3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
PubChem CID123419299
Molecular FormulaC72H43N3O2
Molecular Weight982.16 g/mol
Exact Mass981.34
IUPAC Name3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10cc(-c%11cccc(-c%12ccc%13oc%14ccccc%14c%13c%12)c%11)ccc%109)ccc87)cc6c5c4)ccc32)cc1
InChIInChI=1S/C72H43N3O2/c1-2-15-50(16-3-1)73-63-21-8-4-17-53(63)57-39-47(26-31-66(57)73)49-28-35-71-61(41-49)62-43-52(30-36-72(62)77-71)75-65-23-10-6-19-55(65)59-42-51(29-33-68(59)75)74-64-22-9-5-18-54(64)58-38-46(25-32-67(58)74)44-13-12-14-45(37-44)48-27-34-70-60(40-48)56-20-7-11-24-69(56)76-70/h1-43H
InChIKeyIUJOEPPVUHBFJZ-UHFFFAOYSA-N
XLogP19.78
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.16
LogP ≤ 519.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole (CID 123419299) is 3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10cc(-c%11cccc(-c%12ccc%13oc%14ccccc%14c%13c%12)c%11)ccc%109)ccc87)cc6c5c4)ccc32)cc1.
What is the InChIKey of 3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is IUJOEPPVUHBFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43N3O2/c1-2-15-50(16-3-1)73-63-21-8-4-17-53(63)57-39-47(26-31-66(57)73)49-28-35-71-61(41-49)62-43-52(30-36-72(62)77-71)75-65-23-10-6-19-55(65)59-42-51(29-33-68(59)75)74-64-22-9-5-18-54(64)58-38-46(25-32-67(58)74)44-13-12-14-45(37-44)48-27-34-70-60(40-48)56-20-7-11-24-69(56)76-70/h1-43H.
What are the key properties of 3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 982.16 g/mol, XLogP of 19.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 123419299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).