3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole

C51H36N2 — CID 146664841

IUPAC3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5ccccc5)ccc43)cccc21
InChIInChI=1S/C51H36N2/c1-51(2)42-21-10-6-20-39(42)50-43(51)22-14-26-49(50)53-46-25-13-9-19-38(46)41-32-35(28-30-48(41)53)34-27-29-47-40(31-34)37-18-8-12-24-45(37)52(47)44-23-11-7-17-36(44)33-15-4-3-5-16-33/h3-32H,1-2H3
InChIKeyFNGKVEHPBILVCQ-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.52
Rot. Bonds4

About 3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole

3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 146664841) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
PubChem CID146664841
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5ccccc5)ccc43)cccc21
InChIInChI=1S/C51H36N2/c1-51(2)42-21-10-6-20-39(42)50-43(51)22-14-26-49(50)53-46-25-13-9-19-38(46)41-32-35(28-30-48(41)53)34-27-29-47-40(31-34)37-18-8-12-24-45(37)52(47)44-23-11-7-17-36(44)33-15-4-3-5-16-33/h3-32H,1-2H3
InChIKeyFNGKVEHPBILVCQ-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
CID 158608032
CID 158608032
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene
CID 145232511
CID 118153752
CID 118153752
9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole
CID 166895501
9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 164940817
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole (CID 146664841) is 3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5ccccc5)ccc43)cccc21.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The InChIKey is FNGKVEHPBILVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-51(2)42-21-10-6-20-39(42)50-43(51)22-14-26-49(50)53-46-25-13-9-19-38(46)41-32-35(28-30-48(41)53)34-27-29-47-40(31-34)37-18-8-12-24-45(37)52(47)44-23-11-7-17-36(44)33-15-4-3-5-16-33/h3-32H,1-2H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole has a molecular weight of 676.86 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 146664841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).