1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol

C64H47NO — CID 122607155

IUPAC1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(O)c5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21
InChIInChI=1S/C64H47NO/c1-63(2)56-29-17-15-27-52(56)53-37-36-50(42-58(53)63)65(59-39-33-46(43-19-7-3-8-20-43)41-55(59)44-21-9-4-10-22-44)49-34-31-45(32-35-49)51-38-40-60(66)61-54-28-16-18-30-57(54)64(62(51)61,47-23-11-5-12-24-47)48-25-13-6-14-26-48/h3-42,66H,1-2H3
InChIKeyHDAVUFZBPPKYNA-UHFFFAOYSA-N
MW846.09 g/mol
LogP16.53
Rot. Bonds8

About 1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol

1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol (PubChem CID 122607155) has the molecular formula C64H47NO and a molecular weight of 846.09 g/mol. Its IUPAC name is 1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol.

Molecular Properties

Compound Name1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol
PubChem CID122607155
Molecular FormulaC64H47NO
Molecular Weight846.09 g/mol
Exact Mass845.37
IUPAC Name1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(O)c5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21
InChIInChI=1S/C64H47NO/c1-63(2)56-29-17-15-27-52(56)53-37-36-50(42-58(53)63)65(59-39-33-46(43-19-7-3-8-20-43)41-55(59)44-21-9-4-10-22-44)49-34-31-45(32-35-49)51-38-40-60(66)61-54-28-16-18-30-57(54)64(62(51)61,47-23-11-5-12-24-47)48-25-13-6-14-26-48/h3-42,66H,1-2H3
InChIKeyHDAVUFZBPPKYNA-UHFFFAOYSA-N
XLogP16.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.09
LogP ≤ 516.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9-phenyl-9-(4-phenylphenyl)fluoren-1-amine
CID 163731251
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 159519598
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325443
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481385
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159111401
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol?
The IUPAC name of 1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol (CID 122607155) is 1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol.
What is the SMILES notation for 1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol?
The canonical SMILES for 1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(O)c5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21.
What is the InChIKey of 1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol?
The InChIKey is HDAVUFZBPPKYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47NO/c1-63(2)56-29-17-15-27-52(56)53-37-36-50(42-58(53)63)65(59-39-33-46(43-19-7-3-8-20-43)41-55(59)44-21-9-4-10-22-44)49-34-31-45(32-35-49)51-38-40-60(66)61-54-28-16-18-30-57(54)64(62(51)61,47-23-11-5-12-24-47)48-25-13-6-14-26-48/h3-42,66H,1-2H3.
What are the key properties of 1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol?
1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol has a molecular weight of 846.09 g/mol, XLogP of 16.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N-(9,9-dimethylfluoren-2-yl)-2,4-diphenylanilino)phenyl]-9,9-diphenylfluoren-4-ol is sourced from PubChem (CID 122607155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).