9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine

C68H66N2 — CID 166997870

IUPAC9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine
SMILESCc1ccc(-n2c3ccc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)cc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)C5=C6CCC=C5)cc4)ccc32)cc1
InChIInChI=1S/C68H66N2/c1-45-19-31-55(32-20-45)70-64-39-29-51(48-21-23-50(24-22-48)63(67(5,6)7)44-66(2,3)4)41-59(64)60-42-52(30-40-65(60)70)49-27-35-54(36-28-49)69(53-33-25-47(26-34-53)46-15-11-10-12-16-46)56-37-38-58-57-17-13-14-18-61(57)68(8,9)62(58)43-56/h10-12,14-16,18-43,63H,13,17,44H2,1-9H3
InChIKeyBIJFDFLQGAMFIT-UHFFFAOYSA-N
MW911.29 g/mol
LogP19.52
Rot. Bonds9

About 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine

9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine (PubChem CID 166997870) has the molecular formula C68H66N2 and a molecular weight of 911.29 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine
PubChem CID166997870
Molecular FormulaC68H66N2
Molecular Weight911.29 g/mol
Exact Mass910.52
IUPAC Name9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine
SMILESCc1ccc(-n2c3ccc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)cc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)C5=C6CCC=C5)cc4)ccc32)cc1
InChIInChI=1S/C68H66N2/c1-45-19-31-55(32-20-45)70-64-39-29-51(48-21-23-50(24-22-48)63(67(5,6)7)44-66(2,3)4)41-59(64)60-42-52(30-40-65(60)70)49-27-35-54(36-28-49)69(53-33-25-47(26-34-53)46-15-11-10-12-16-46)56-37-38-58-57-17-13-14-18-61(57)68(8,9)62(58)43-56/h10-12,14-16,18-43,63H,13,17,44H2,1-9H3
InChIKeyBIJFDFLQGAMFIT-UHFFFAOYSA-N
XLogP19.52
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.29
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 154986884
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-propan-2-ylphenyl)-6-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 146352295
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 162217373
N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine
CID 138705956
N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 154986902
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 154987360
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614229
4-[6-(4-butan-2-ylphenyl)-9-(4-methylphenyl)carbazol-3-yl]-N,N-diphenylaniline;4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159054745
N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline
CID 154986914
N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
CID 167214690
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine
CID 166048969
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine (CID 166997870) is 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine is Cc1ccc(-n2c3ccc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)cc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)C5=C6CCC=C5)cc4)ccc32)cc1.
What is the InChIKey of 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine?
The InChIKey is BIJFDFLQGAMFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H66N2/c1-45-19-31-55(32-20-45)70-64-39-29-51(48-21-23-50(24-22-48)63(67(5,6)7)44-66(2,3)4)41-59(64)60-42-52(30-40-65(60)70)49-27-35-54(36-28-49)69(53-33-25-47(26-34-53)46-15-11-10-12-16-46)56-37-38-58-57-17-13-14-18-61(57)68(8,9)62(58)43-56/h10-12,14-16,18-43,63H,13,17,44H2,1-9H3.
What are the key properties of 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine?
9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine has a molecular weight of 911.29 g/mol, XLogP of 19.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine is sourced from PubChem (CID 166997870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).