3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole

C58H41N — CID 71291314

IUPAC3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5c(cccc35)-c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)ccc21
InChIInChI=1S/C58H41N/c1-57(2)50-18-9-6-13-40(50)47-31-35(22-27-51(47)57)36-23-28-55-48(32-36)42-14-7-10-19-53(42)59(55)54-29-26-44-38-24-20-34(30-46(38)43-15-11-16-45(54)56(43)44)37-21-25-41-39-12-5-8-17-49(39)58(3,4)52(41)33-37/h5-33H,1-4H3
InChIKeyZUZJSIJDYARCHW-UHFFFAOYSA-N
MW751.97 g/mol
LogP15.53
Rot. Bonds3

About 3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole

3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole (PubChem CID 71291314) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole
PubChem CID71291314
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC Name3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5c(cccc35)-c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)ccc21
InChIInChI=1S/C58H41N/c1-57(2)50-18-9-6-13-40(50)47-31-35(22-27-51(47)57)36-23-28-55-48(32-36)42-14-7-10-19-53(42)59(55)54-29-26-44-38-24-20-34(30-46(38)43-15-11-16-45(54)56(43)44)37-21-25-41-39-12-5-8-17-49(39)58(3,4)52(41)33-37/h5-33H,1-4H3
InChIKeyZUZJSIJDYARCHW-UHFFFAOYSA-N
XLogP15.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325922
3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 71291322
5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118580618
3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole
CID 130295137
9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 126632452
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-amine
CID 59171796
3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
CID 59236729
10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine
CID 70936023
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-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole?
The IUPAC name of 3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole (CID 71291314) is 3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole.
What is the SMILES notation for 3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole?
The canonical SMILES for 3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5c(cccc35)-c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)ccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole?
The InChIKey is ZUZJSIJDYARCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-57(2)50-18-9-6-13-40(50)47-31-35(22-27-51(47)57)36-23-28-55-48(32-36)42-14-7-10-19-53(42)59(55)54-29-26-44-38-24-20-34(30-46(38)43-15-11-16-45(54)56(43)44)37-21-25-41-39-12-5-8-17-49(39)58(3,4)52(41)33-37/h5-33H,1-4H3.
What are the key properties of 3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole?
3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole has a molecular weight of 751.97 g/mol, XLogP of 15.53, 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-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole is sourced from PubChem (CID 71291314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).