3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole

C53H35N — CID 130295137

IUPAC3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)cc21
InChIInChI=1S/C53H35N/c1-53(2)48-16-7-5-13-42(48)43-24-21-36(31-49(43)53)35-22-25-51-46(29-35)44-14-6-8-17-50(44)54(51)39-23-20-32-26-33(18-19-34(32)28-39)38-27-37-10-9-15-45-40-11-3-4-12-41(40)47(30-38)52(37)45/h3-31H,1-2H3
InChIKeyDRNXSRBJFKSEPW-UHFFFAOYSA-N
MW685.87 g/mol
LogP14.38
Rot. Bonds3

About 3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole

3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole (PubChem CID 130295137) has the molecular formula C53H35N and a molecular weight of 685.87 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole
PubChem CID130295137
Molecular FormulaC53H35N
Molecular Weight685.87 g/mol
Exact Mass685.28
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)cc21
InChIInChI=1S/C53H35N/c1-53(2)48-16-7-5-13-42(48)43-24-21-36(31-49(43)53)35-22-25-51-46(29-35)44-14-6-8-17-50(44)54(51)39-23-20-32-26-33(18-19-34(32)28-39)38-27-37-10-9-15-45-40-11-3-4-12-41(40)47(30-38)52(37)45/h3-31H,1-2H3
InChIKeyDRNXSRBJFKSEPW-UHFFFAOYSA-N
XLogP14.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole
CID 90164584
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
CID 59236649
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118580618
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole (CID 130295137) is 3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole?
The InChIKey is DRNXSRBJFKSEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N/c1-53(2)48-16-7-5-13-42(48)43-24-21-36(31-49(43)53)35-22-25-51-46(29-35)44-14-6-8-17-50(44)54(51)39-23-20-32-26-33(18-19-34(32)28-39)38-27-37-10-9-15-45-40-11-3-4-12-41(40)47(30-38)52(37)45/h3-31H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole?
3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole has a molecular weight of 685.87 g/mol, XLogP of 14.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole is sourced from PubChem (CID 130295137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).