9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole

C68H43NOS — CID 144938473

IUPAC9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole
SMILESc1ccc(S2(c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc32)cc1
InChIInChI=1S/C68H43NOS/c1-3-20-50(21-4-1)71(51-22-5-2-6-23-51)66-42-48(56-29-15-30-60-57-26-11-12-31-65(57)70-68(56)60)32-36-58(66)59-37-35-49(43-67(59)71)69-63-38-33-46(54-27-13-18-44-16-7-9-24-52(44)54)40-61(63)62-41-47(34-39-64(62)69)55-28-14-19-45-17-8-10-25-53(45)55/h1-43H
InChIKeyMTOXSHROLWBLRO-UHFFFAOYSA-N
MW922.16 g/mol
LogP19.31
Rot. Bonds6

About 9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole

9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole (PubChem CID 144938473) has the molecular formula C68H43NOS and a molecular weight of 922.16 g/mol. Its IUPAC name is 9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole.

Molecular Properties

Compound Name9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole
PubChem CID144938473
Molecular FormulaC68H43NOS
Molecular Weight922.16 g/mol
Exact Mass921.31
IUPAC Name9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole
SMILESc1ccc(S2(c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc32)cc1
InChIInChI=1S/C68H43NOS/c1-3-20-50(21-4-1)71(51-22-5-2-6-23-51)66-42-48(56-29-15-30-60-57-26-11-12-31-65(57)70-68(56)60)32-36-58(66)59-37-35-49(43-67(59)71)69-63-38-33-46(54-27-13-18-44-16-7-9-24-52(44)54)40-61(63)62-41-47(34-39-64(62)69)55-28-14-19-45-17-8-10-25-53(45)55/h1-43H
InChIKeyMTOXSHROLWBLRO-UHFFFAOYSA-N
XLogP19.31
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.16
LogP ≤ 519.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole
CID 144938389
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
CID 87156900
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 142356757
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
CID 144938378
CID 144938378

Frequently Asked Questions

What is the IUPAC name of 9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole?
The IUPAC name of 9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole (CID 144938473) is 9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole.
What is the SMILES notation for 9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole?
The canonical SMILES for 9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole is c1ccc(S2(c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc32)cc1.
What is the InChIKey of 9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole?
The InChIKey is MTOXSHROLWBLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NOS/c1-3-20-50(21-4-1)71(51-22-5-2-6-23-51)66-42-48(56-29-15-30-60-57-26-11-12-31-65(57)70-68(56)60)32-36-58(66)59-37-35-49(43-67(59)71)69-63-38-33-46(54-27-13-18-44-16-7-9-24-52(44)54)40-61(63)62-41-47(34-39-64(62)69)55-28-14-19-45-17-8-10-25-53(45)55/h1-43H.
What are the key properties of 9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole?
9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole has a molecular weight of 922.16 g/mol, XLogP of 19.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole is sourced from PubChem (CID 144938473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).