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

C53H43N — CID 122487902

IUPAC9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CC5C4c4ccccc4C5(C)c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C53H43N/c1-52(2)47-22-12-10-19-44(47)45-34-33-42(35-50(45)52)54(40-29-25-37(26-30-40)36-15-6-4-7-16-36)41-31-27-38(28-32-41)43-21-14-24-49-51(43)46-20-11-13-23-48(46)53(49,3)39-17-8-5-9-18-39/h4-35,49,51H,1-3H3
InChIKeyPWXWANNWWZLCJH-UHFFFAOYSA-N
MW693.93 g/mol
LogP13.80
Rot. Bonds6

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

9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 122487902) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID122487902
Molecular FormulaC53H43N
Molecular Weight693.93 g/mol
Exact Mass693.34
IUPAC Name9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CC5C4c4ccccc4C5(C)c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C53H43N/c1-52(2)47-22-12-10-19-44(47)45-34-33-42(35-50(45)52)54(40-29-25-37(26-30-40)36-15-6-4-7-16-36)41-31-27-38(28-32-41)43-21-14-24-49-51(43)46-20-11-13-23-48(46)53(49,3)39-17-8-5-9-18-39/h4-35,49,51H,1-3H3
InChIKeyPWXWANNWWZLCJH-UHFFFAOYSA-N
XLogP13.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 166895444
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 122487902) is 9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CC5C4c4ccccc4C5(C)c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is PWXWANNWWZLCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N/c1-52(2)47-22-12-10-19-44(47)45-34-33-42(35-50(45)52)54(40-29-25-37(26-30-40)36-15-6-4-7-16-36)41-31-27-38(28-32-41)43-21-14-24-49-51(43)46-20-11-13-23-48(46)53(49,3)39-17-8-5-9-18-39/h4-35,49,51H,1-3H3.
What are the key properties of 9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 693.93 g/mol, XLogP of 13.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 122487902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).