N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C59H47N — CID 155220965

IUPACN-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1cccc(C)c1-c1cc(-c2ccc(-c3ccccc3)cc2)ccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C59H47N/c1-40-14-13-15-41(2)58(40)54-38-49(48-28-26-45(27-29-48)43-18-9-6-10-19-43)32-37-57(54)60(51-35-36-53-52-20-11-12-21-55(52)59(3,4)56(53)39-51)50-33-30-47(31-34-50)46-24-22-44(23-25-46)42-16-7-5-8-17-42/h5-39H,1-4H3
InChIKeyAGGYZWVIOZOXRK-UHFFFAOYSA-N
MW770.03 g/mol
LogP16.41
Rot. Bonds8

About N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 155220965) has the molecular formula C59H47N and a molecular weight of 770.03 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID155220965
Molecular FormulaC59H47N
Molecular Weight770.03 g/mol
Exact Mass769.37
IUPAC NameN-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1cccc(C)c1-c1cc(-c2ccc(-c3ccccc3)cc2)ccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C59H47N/c1-40-14-13-15-41(2)58(40)54-38-49(48-28-26-45(27-29-48)43-18-9-6-10-19-43)32-37-57(54)60(51-35-36-53-52-20-11-12-21-55(52)59(3,4)56(53)39-51)50-33-30-47(31-34-50)46-24-22-44(23-25-46)42-16-7-5-8-17-42/h5-39H,1-4H3
InChIKeyAGGYZWVIOZOXRK-UHFFFAOYSA-N
XLogP16.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.03
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 155623488
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-phenylphenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2-methylphenyl)-4-(4-methylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(2,6-dimethylphenyl)-4-(4-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 162122068
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 155220978
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981
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-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine
CID 155181682
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 155220965) is N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is Cc1cccc(C)c1-c1cc(-c2ccc(-c3ccccc3)cc2)ccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is AGGYZWVIOZOXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N/c1-40-14-13-15-41(2)58(40)54-38-49(48-28-26-45(27-29-48)43-18-9-6-10-19-43)32-37-57(54)60(51-35-36-53-52-20-11-12-21-55(52)59(3,4)56(53)39-51)50-33-30-47(31-34-50)46-24-22-44(23-25-46)42-16-7-5-8-17-42/h5-39H,1-4H3.
What are the key properties of N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 770.03 g/mol, XLogP of 16.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 155220965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).