N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C56H50N2 — CID 71021422

IUPACN-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCc1cc(-c2cc(C)cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)C2=CCCC=C23)c1
InChIInChI=1S/C56H50N2/c1-37-29-39(33-45(31-37)57(41-17-9-7-10-18-41)43-25-27-49-47-21-13-15-23-51(47)55(3,4)53(49)35-43)40-30-38(2)32-46(34-40)58(42-19-11-8-12-20-42)44-26-28-50-48-22-14-16-24-52(48)56(5,6)54(50)36-44/h7-13,15,17-36H,14,16H2,1-6H3
InChIKeyURAOQZCIWJXKBS-UHFFFAOYSA-N
MW751.03 g/mol
LogP15.61
Rot. Bonds7

About N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 71021422) has the molecular formula C56H50N2 and a molecular weight of 751.03 g/mol. Its IUPAC name is N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID71021422
Molecular FormulaC56H50N2
Molecular Weight751.03 g/mol
Exact Mass750.40
IUPAC NameN-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCc1cc(-c2cc(C)cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)C2=CCCC=C23)c1
InChIInChI=1S/C56H50N2/c1-37-29-39(33-45(31-37)57(41-17-9-7-10-18-41)43-25-27-49-47-21-13-15-23-51(47)55(3,4)53(49)35-43)40-30-38(2)32-46(34-40)58(42-19-11-8-12-20-42)44-26-28-50-48-22-14-16-24-52(48)56(5,6)54(50)36-44/h7-13,15,17-36H,14,16H2,1-6H3
InChIKeyURAOQZCIWJXKBS-UHFFFAOYSA-N
XLogP15.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.03
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 126542786
3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline
CID 58389731
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine
CID 137483501
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
N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(2,2',7,7'-tetratert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]fluoren-2-amine
CID 178110228
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067791
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-2,3-dihydrofluorene
CID 123727902

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 71021422) is N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is Cc1cc(-c2cc(C)cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)C2=CCCC=C23)c1.
What is the InChIKey of N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is URAOQZCIWJXKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2/c1-37-29-39(33-45(31-37)57(41-17-9-7-10-18-41)43-25-27-49-47-21-13-15-23-51(47)55(3,4)53(49)35-43)40-30-38(2)32-46(34-40)58(42-19-11-8-12-20-42)44-26-28-50-48-22-14-16-24-52(48)56(5,6)54(50)36-44/h7-13,15,17-36H,14,16H2,1-6H3.
What are the key properties of N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 751.03 g/mol, XLogP of 15.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 71021422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).