3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole

C61H40N2O — CID 162500264

IUPAC3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2cc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1
InChIInChI=1S/C61H40N2O/c1-4-18-43(19-5-1)61(44-20-6-2-7-21-44,45-22-8-3-9-23-45)46-36-42(41-32-35-60-54(38-41)52-27-13-17-31-59(52)64-60)37-48(39-46)63-57-30-16-12-26-51(57)53-40-47(33-34-58(53)63)62-55-28-14-10-24-49(55)50-25-11-15-29-56(50)62/h1-40H
InChIKeyCPZNBJBMTOHPSW-UHFFFAOYSA-N
MW817.00 g/mol
LogP15.83
Rot. Bonds7

About 3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole

3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole (PubChem CID 162500264) has the molecular formula C61H40N2O and a molecular weight of 817.00 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole
PubChem CID162500264
Molecular FormulaC61H40N2O
Molecular Weight817.00 g/mol
Exact Mass816.31
IUPAC Name3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2cc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1
InChIInChI=1S/C61H40N2O/c1-4-18-43(19-5-1)61(44-20-6-2-7-21-44,45-22-8-3-9-23-45)46-36-42(41-32-35-60-54(38-41)52-27-13-17-31-59(52)64-60)37-48(39-46)63-57-30-16-12-26-51(57)53-40-47(33-34-58(53)63)62-55-28-14-10-24-49(55)50-25-11-15-29-56(50)62/h1-40H
InChIKeyCPZNBJBMTOHPSW-UHFFFAOYSA-N
XLogP15.83
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.00
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
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)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
CID 144605145
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
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
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole (CID 162500264) is 3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole is c1ccc(C(c2ccccc2)(c2ccccc2)c2cc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole?
The InChIKey is CPZNBJBMTOHPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O/c1-4-18-43(19-5-1)61(44-20-6-2-7-21-44,45-22-8-3-9-23-45)46-36-42(41-32-35-60-54(38-41)52-27-13-17-31-59(52)64-60)37-48(39-46)63-57-30-16-12-26-51(57)53-40-47(33-34-58(53)63)62-55-28-14-10-24-49(55)50-25-11-15-29-56(50)62/h1-40H.
What are the key properties of 3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole?
3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole has a molecular weight of 817.00 g/mol, XLogP of 15.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole is sourced from PubChem (CID 162500264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).