5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole

C62H48N2 — CID 129133615

IUPAC5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole
SMILESCc1ccc2c(c1)C(C)(c1ccccc1)c1cc(-n3c4ccc(C)cc4c4cc5c(cc43)c3cc(C)ccc3n5-c3ccc4c(c3)C(C)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2
InChIInChI=1S/C62H48N2/c1-37-19-27-57-49(29-37)51-35-60-52(36-59(51)63(57)43-21-25-47-45-23-17-39(3)31-53(45)61(5,55(47)33-43)41-13-9-7-10-14-41)50-30-38(2)20-28-58(50)64(60)44-22-26-48-46-24-18-40(4)32-54(46)62(6,56(48)34-44)42-15-11-8-12-16-42/h7-36H,1-6H3
InChIKeyFRSAZZNHEZIYRA-UHFFFAOYSA-N
MW821.08 g/mol
LogP15.78
Rot. Bonds4

About 5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole

5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole (PubChem CID 129133615) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is 5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole
PubChem CID129133615
Molecular FormulaC62H48N2
Molecular Weight821.08 g/mol
Exact Mass820.38
IUPAC Name5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole
SMILESCc1ccc2c(c1)C(C)(c1ccccc1)c1cc(-n3c4ccc(C)cc4c4cc5c(cc43)c3cc(C)ccc3n5-c3ccc4c(c3)C(C)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2
InChIInChI=1S/C62H48N2/c1-37-19-27-57-49(29-37)51-35-60-52(36-59(51)63(57)43-21-25-47-45-23-17-39(3)31-53(45)61(5,55(47)33-43)41-13-9-7-10-14-41)50-30-38(2)20-28-58(50)64(60)44-22-26-48-46-24-18-40(4)32-54(46)62(6,56(48)34-44)42-15-11-8-12-16-42/h7-36H,1-6H3
InChIKeyFRSAZZNHEZIYRA-UHFFFAOYSA-N
XLogP15.78
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
9-(4-carbazol-9-ylphenyl)-3-[9-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-2,7-dimethylfluoren-9-yl]carbazole
CID 58412014
5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole
CID 131973274
9,11,11-trimethyl-5-phenylindeno[1,2-b]carbazole
CID 71250183
2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58969350
9-(9,9-diphenylfluoren-2-yl)-3-methylcarbazole;9-(9H-fluoren-2-yl)-3-methylcarbazole;3-methyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;3-methyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 160834176
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
CID 163750007
CID 163750007
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole?
The IUPAC name of 5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole (CID 129133615) is 5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole?
The canonical SMILES for 5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole is Cc1ccc2c(c1)C(C)(c1ccccc1)c1cc(-n3c4ccc(C)cc4c4cc5c(cc43)c3cc(C)ccc3n5-c3ccc4c(c3)C(C)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2.
What is the InChIKey of 5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole?
The InChIKey is FRSAZZNHEZIYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2/c1-37-19-27-57-49(29-37)51-35-60-52(36-59(51)63(57)43-21-25-47-45-23-17-39(3)31-53(45)61(5,55(47)33-43)41-13-9-7-10-14-41)50-30-38(2)20-28-58(50)64(60)44-22-26-48-46-24-18-40(4)32-54(46)62(6,56(48)34-44)42-15-11-8-12-16-42/h7-36H,1-6H3.
What are the key properties of 5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole?
5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole has a molecular weight of 821.08 g/mol, XLogP of 15.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole is sourced from PubChem (CID 129133615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).