N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine

C57H43N — CID 126595186

IUPACN-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)C3C=CC(c4ccccc4)=CC3)cc21
InChIInChI=1S/C57H43N/c1-56(42-21-8-3-9-22-42)50-29-16-14-27-47(50)48-38-37-46(39-53(48)56)58(45-35-33-41(34-36-45)40-19-6-2-7-20-40)54-32-18-31-52-55(54)49-28-15-17-30-51(49)57(52,43-23-10-4-11-24-43)44-25-12-5-13-26-44/h2-35,37-39,45H,36H2,1H3
InChIKeyRKNNSCULHXMNOX-UHFFFAOYSA-N
MW741.98 g/mol
LogP13.93
Rot. Bonds7

About N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine

N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine (PubChem CID 126595186) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
PubChem CID126595186
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)C3C=CC(c4ccccc4)=CC3)cc21
InChIInChI=1S/C57H43N/c1-56(42-21-8-3-9-22-42)50-29-16-14-27-47(50)48-38-37-46(39-53(48)56)58(45-35-33-41(34-36-45)40-19-6-2-7-20-40)54-32-18-31-52-55(54)49-28-15-17-30-51(49)57(52,43-23-10-4-11-24-43)44-25-12-5-13-26-44/h2-35,37-39,45H,36H2,1H3
InChIKeyRKNNSCULHXMNOX-UHFFFAOYSA-N
XLogP13.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575
N-(4-dibenzothiophen-4-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-diphenylfluoren-4-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 145280398
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
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-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
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)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453030
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 135193193
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453735
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane
CID 142604839

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine (CID 126595186) is N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)C3C=CC(c4ccccc4)=CC3)cc21.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine?
The InChIKey is RKNNSCULHXMNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-56(42-21-8-3-9-22-42)50-29-16-14-27-47(50)48-38-37-46(39-53(48)56)58(45-35-33-41(34-36-45)40-19-6-2-7-20-40)54-32-18-31-52-55(54)49-28-15-17-30-51(49)57(52,43-23-10-4-11-24-43)44-25-12-5-13-26-44/h2-35,37-39,45H,36H2,1H3.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine?
N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine has a molecular weight of 741.98 g/mol, XLogP of 13.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine is sourced from PubChem (CID 126595186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).