N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine

C56H45N — CID 170216920

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(C)c3ccccc3)cc21
InChIInChI=1S/C56H45N/c1-54(2)45-27-13-9-21-38(45)40-34-33-37(35-49(40)54)57(51-32-18-30-48-52(51)44-24-11-15-29-47(44)56(48,5)36-19-7-6-8-20-36)50-31-16-12-23-41(50)43-26-17-25-42-39-22-10-14-28-46(39)55(3,4)53(42)43/h6-35H,1-5H3
InChIKeyAZHRULBIDLCCRS-UHFFFAOYSA-N
MW731.98 g/mol
LogP14.77
Rot. Bonds5

About N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine (PubChem CID 170216920) has the molecular formula C56H45N and a molecular weight of 731.98 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
PubChem CID170216920
Molecular FormulaC56H45N
Molecular Weight731.98 g/mol
Exact Mass731.36
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(C)c3ccccc3)cc21
InChIInChI=1S/C56H45N/c1-54(2)45-27-13-9-21-38(45)40-34-33-37(35-49(40)54)57(51-32-18-30-48-52(51)44-24-11-15-29-47(44)56(48,5)36-19-7-6-8-20-36)50-31-16-12-23-41(50)43-26-17-25-42-39-22-10-14-28-46(39)55(3,4)53(42)43/h6-35H,1-5H3
InChIKeyAZHRULBIDLCCRS-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.98
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216915
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 171453229
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217298
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)dibenzofuran-1-amine
CID 138484796
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 160677650
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
CID 170303967
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170217472
N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine (CID 170216920) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(C)c3ccccc3)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine?
The InChIKey is AZHRULBIDLCCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N/c1-54(2)45-27-13-9-21-38(45)40-34-33-37(35-49(40)54)57(51-32-18-30-48-52(51)44-24-11-15-29-47(44)56(48,5)36-19-7-6-8-20-36)50-31-16-12-23-41(50)43-26-17-25-42-39-22-10-14-28-46(39)55(3,4)53(42)43/h6-35H,1-5H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine has a molecular weight of 731.98 g/mol, XLogP of 14.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine is sourced from PubChem (CID 170216920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).