3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole

C57H35NO3 — CID 118098971

IUPAC3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
SMILESCC1(C)c2cc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)ccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C57H35NO3/c1-57(2)46-31-34(23-24-37(46)40-25-28-52-53(54(40)57)43-13-5-8-20-51(43)59-52)58-47-26-21-32(35-14-9-16-41-38-11-3-6-18-49(38)60-55(35)41)29-44(47)45-30-33(22-27-48(45)58)36-15-10-17-42-39-12-4-7-19-50(39)61-56(36)42/h3-31H,1-2H3
InChIKeyNJJUDOSGUOZGEJ-UHFFFAOYSA-N
MW781.91 g/mol
LogP16.12
Rot. Bonds3

About 3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole

3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole (PubChem CID 118098971) has the molecular formula C57H35NO3 and a molecular weight of 781.91 g/mol. Its IUPAC name is 3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole.

Molecular Properties

Compound Name3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
PubChem CID118098971
Molecular FormulaC57H35NO3
Molecular Weight781.91 g/mol
Exact Mass781.26
IUPAC Name3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
SMILESCC1(C)c2cc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)ccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C57H35NO3/c1-57(2)46-31-34(23-24-37(46)40-25-28-52-53(54(40)57)43-13-5-8-20-51(43)59-52)58-47-26-21-32(35-14-9-16-41-38-11-3-6-18-49(38)60-55(35)41)29-44(47)45-30-33(22-27-48(45)58)36-15-10-17-42-39-12-4-7-19-50(39)61-56(36)42/h3-31H,1-2H3
InChIKeyNJJUDOSGUOZGEJ-UHFFFAOYSA-N
XLogP16.12
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.91
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)carbazole
CID 160530149
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 118099028
3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
CID 158774587
5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-phenanthren-2-yl-6-(4-phenylphenyl)carbazole
CID 118098873
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099089
9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
CID 160839685
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole
CID 126580144
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
3-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6-(8-methyldibenzofuran-4-yl)carbazole
CID 134511671

Frequently Asked Questions

What is the IUPAC name of 3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole?
The IUPAC name of 3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole (CID 118098971) is 3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole.
What is the SMILES notation for 3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole?
The canonical SMILES for 3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole is CC1(C)c2cc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)ccc2-c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole?
The InChIKey is NJJUDOSGUOZGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NO3/c1-57(2)46-31-34(23-24-37(46)40-25-28-52-53(54(40)57)43-13-5-8-20-51(43)59-52)58-47-26-21-32(35-14-9-16-41-38-11-3-6-18-49(38)60-55(35)41)29-44(47)45-30-33(22-27-48(45)58)36-15-10-17-42-39-12-4-7-19-50(39)61-56(36)42/h3-31H,1-2H3.
What are the key properties of 3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole?
3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole has a molecular weight of 781.91 g/mol, XLogP of 16.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole is sourced from PubChem (CID 118098971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).