N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C56H47N — CID 146578317

IUPACN-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C56H47N/c1-36-18-10-12-22-42(36)48-32-39(38-20-8-7-9-21-38)33-49(43-23-13-11-19-37(43)2)54(48)57(40-28-30-46-44-24-14-16-26-50(44)55(3,4)52(46)34-40)41-29-31-47-45-25-15-17-27-51(45)56(5,6)53(47)35-41/h7-35H,1-6H3
InChIKeyOMBNIXFDIYHVBB-UHFFFAOYSA-N
MW734.00 g/mol
LogP15.39
Rot. Bonds6

About N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 146578317) has the molecular formula C56H47N and a molecular weight of 734.00 g/mol. Its IUPAC name is N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID146578317
Molecular FormulaC56H47N
Molecular Weight734.00 g/mol
Exact Mass733.37
IUPAC NameN-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C56H47N/c1-36-18-10-12-22-42(36)48-32-39(38-20-8-7-9-21-38)33-49(43-23-13-11-19-37(43)2)54(48)57(40-28-30-46-44-24-14-16-26-50(44)55(3,4)52(46)34-40)41-29-31-47-45-25-15-17-27-51(45)56(5,6)53(47)35-41/h7-35H,1-6H3
InChIKeyOMBNIXFDIYHVBB-UHFFFAOYSA-N
XLogP15.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.00
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline
CID 160708595
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 155221159
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-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 146578858
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(2,4,6-triphenylphenyl)fluoren-2-amine
CID 155181804
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 121285858
9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 155623469
9,9-dimethyl-N-(2-methyl-4-naphthalen-2-yl-6-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155221008
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221133
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-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 146578317) is N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is OMBNIXFDIYHVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N/c1-36-18-10-12-22-42(36)48-32-39(38-20-8-7-9-21-38)33-49(43-23-13-11-19-37(43)2)54(48)57(40-28-30-46-44-24-14-16-26-50(44)55(3,4)52(46)34-40)41-29-31-47-45-25-15-17-27-51(45)56(5,6)53(47)35-41/h7-35H,1-6H3.
What are the key properties of N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 734.00 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 146578317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).