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

C50H43N — CID 155623488

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1cccc(C)c1-c1cc(-c2ccccc2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C50H43N/c1-32-16-14-17-33(2)47(32)40-30-35(34-18-8-7-9-19-34)26-29-45(40)51(36-27-28-38-37-20-10-12-22-41(37)50(5,6)44(38)31-36)46-25-15-24-43-48(46)39-21-11-13-23-42(39)49(43,3)4/h7-31H,1-6H3
InChIKeyFRBGIRDBRMTCCW-UHFFFAOYSA-N
MW657.90 g/mol
LogP13.72
Rot. Bonds5

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

N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 155623488) has the molecular formula C50H43N and a molecular weight of 657.90 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
PubChem CID155623488
Molecular FormulaC50H43N
Molecular Weight657.90 g/mol
Exact Mass657.34
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1cccc(C)c1-c1cc(-c2ccccc2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C50H43N/c1-32-16-14-17-33(2)47(32)40-30-35(34-18-8-7-9-19-34)26-29-45(40)51(36-27-28-38-37-20-10-12-22-41(37)50(5,6)44(38)31-36)46-25-15-24-43-48(46)39-21-11-13-23-42(39)49(43,3)4/h7-31H,1-6H3
InChIKeyFRBGIRDBRMTCCW-UHFFFAOYSA-N
XLogP13.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.90
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine
CID 155181682
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 155181751
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-2-ylphenyl]fluoren-2-amine
CID 155181809
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-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155181614
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine (CID 155623488) is N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine is Cc1cccc(C)c1-c1cc(-c2ccccc2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is FRBGIRDBRMTCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N/c1-32-16-14-17-33(2)47(32)40-30-35(34-18-8-7-9-19-34)26-29-45(40)51(36-27-28-38-37-20-10-12-22-41(37)50(5,6)44(38)31-36)46-25-15-24-43-48(46)39-21-11-13-23-42(39)49(43,3)4/h7-31H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 657.90 g/mol, XLogP of 13.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155623488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).