3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole

C42H25NOS — CID 122451698

IUPAC3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C42H25NOS/c1-2-8-30(9-3-1)43-37-18-14-26(28-16-20-40-35(24-28)31-10-4-6-12-39(31)44-40)22-33(37)34-23-27(15-19-38(34)43)29-17-21-42-36(25-29)32-11-5-7-13-41(32)45-42/h1-25H
InChIKeyBVPCXUMJLSRMBG-UHFFFAOYSA-N
MW591.74 g/mol
LogP12.39
Rot. Bonds3

About 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole

3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole (PubChem CID 122451698) has the molecular formula C42H25NOS and a molecular weight of 591.74 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
PubChem CID122451698
Molecular FormulaC42H25NOS
Molecular Weight591.74 g/mol
Exact Mass591.17
IUPAC Name3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C42H25NOS/c1-2-8-30(9-3-1)43-37-18-14-26(28-16-20-40-35(24-28)31-10-4-6-12-39(31)44-40)22-33(37)34-23-27(15-19-38(34)43)29-17-21-42-36(25-29)32-11-5-7-13-41(32)45-42/h1-25H
InChIKeyBVPCXUMJLSRMBG-UHFFFAOYSA-N
XLogP12.39
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.74
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009360
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
CID 158258330
3-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160571144
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159055285

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole?
The IUPAC name of 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole (CID 122451698) is 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole is c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole?
The InChIKey is BVPCXUMJLSRMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NOS/c1-2-8-30(9-3-1)43-37-18-14-26(28-16-20-40-35(24-28)31-10-4-6-12-39(31)44-40)22-33(37)34-23-27(15-19-38(34)43)29-17-21-42-36(25-29)32-11-5-7-13-41(32)45-42/h1-25H.
What are the key properties of 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole?
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole has a molecular weight of 591.74 g/mol, XLogP of 12.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole is sourced from PubChem (CID 122451698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).