N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine

C57H41NO — CID 121423384

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine
SMILESCOc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C57H41NO/c1-59-46-36-33-44(34-37-46)58(45-35-38-48-47-27-14-16-29-50(47)57(53(48)39-45,42-23-10-4-11-24-42)43-25-12-5-13-26-43)54-32-18-31-52-55(54)49-28-15-17-30-51(49)56(52,40-19-6-2-7-20-40)41-21-8-3-9-22-41/h2-39H,1H3
InChIKeyRCAQIAYFZCRGGD-UHFFFAOYSA-N
MW755.96 g/mol
LogP13.89
Rot. Bonds8

About N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine

N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 121423384) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID121423384
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine
SMILESCOc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C57H41NO/c1-59-46-36-33-44(34-37-46)58(45-35-38-48-47-27-14-16-29-50(47)57(53(48)39-45,42-23-10-4-11-24-42)43-25-12-5-13-26-43)54-32-18-31-52-55(54)49-28-15-17-30-51(49)56(52,40-19-6-2-7-20-40)41-21-8-3-9-22-41/h2-39H,1H3
InChIKeyRCAQIAYFZCRGGD-UHFFFAOYSA-N
XLogP13.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 135193278
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121464393
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 160677650
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476709
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine (CID 121423384) is N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine is COc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is RCAQIAYFZCRGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-59-46-36-33-44(34-37-46)58(45-35-38-48-47-27-14-16-29-50(47)57(53(48)39-45,42-23-10-4-11-24-42)43-25-12-5-13-26-43)54-32-18-31-52-55(54)49-28-15-17-30-51(49)56(52,40-19-6-2-7-20-40)41-21-8-3-9-22-41/h2-39H,1H3.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 755.96 g/mol, XLogP of 13.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 121423384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).