N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine

C63H45N — CID 171453157

IUPACN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C63H45N/c1-62(46-23-8-3-9-24-46)56-33-17-14-30-53(56)54-42-41-50(43-59(54)62)64(60-36-19-16-29-51(60)44-21-6-2-7-22-44)49-39-37-45(38-40-49)52-32-20-35-58-61(52)55-31-15-18-34-57(55)63(58,47-25-10-4-11-26-47)48-27-12-5-13-28-48/h2-43H,1H3
InChIKeyJDEQCSFGYMSIRE-UHFFFAOYSA-N
MW816.06 g/mol
LogP16.19
Rot. Bonds8

About N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 171453157) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID171453157
Molecular FormulaC63H45N
Molecular Weight816.06 g/mol
Exact Mass815.36
IUPAC NameN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C63H45N/c1-62(46-23-8-3-9-24-46)56-33-17-14-30-53(56)54-42-41-50(43-59(54)62)64(60-36-19-16-29-51(60)44-21-6-2-7-22-44)49-39-37-45(38-40-49)52-32-20-35-58-61(52)55-31-15-18-34-57(55)63(58,47-25-10-4-11-26-47)48-27-12-5-13-28-48/h2-43H,1H3
InChIKeyJDEQCSFGYMSIRE-UHFFFAOYSA-N
XLogP16.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.06
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 171453410
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303937
N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 122607124
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 159633994
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 171453618
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 135193193
N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575
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-(2-phenylphenyl)fluoren-2-amine
CID 126548400

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine (CID 171453157) is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is JDEQCSFGYMSIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N/c1-62(46-23-8-3-9-24-46)56-33-17-14-30-53(56)54-42-41-50(43-59(54)62)64(60-36-19-16-29-51(60)44-21-6-2-7-22-44)49-39-37-45(38-40-49)52-32-20-35-58-61(52)55-31-15-18-34-57(55)63(58,47-25-10-4-11-26-47)48-27-12-5-13-28-48/h2-43H,1H3.
What are the key properties of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine?
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 816.06 g/mol, XLogP of 16.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171453157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).