N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

C64H47N — CID 170421373

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C64H47N/c1-40-20-32-54-55-33-21-41(2)37-61(55)64(60(54)36-40)58-19-10-8-16-52(58)56-35-31-48(39-62(56)64)65(47-29-24-44(25-30-47)50-17-11-13-43-12-5-6-14-49(43)50)46-27-22-42(23-28-46)45-26-34-53-51-15-7-9-18-57(51)63(3,4)59(53)38-45/h5-39H,1-4H3
InChIKeyXXDSRJWZOCRDFC-UHFFFAOYSA-N
MW830.09 g/mol
LogP16.91
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 170421373) has the molecular formula C64H47N and a molecular weight of 830.09 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID170421373
Molecular FormulaC64H47N
Molecular Weight830.09 g/mol
Exact Mass829.37
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C64H47N/c1-40-20-32-54-55-33-21-41(2)37-61(55)64(60(54)36-40)58-19-10-8-16-52(58)56-35-31-48(39-62(56)64)65(47-29-24-44(25-30-47)50-17-11-13-43-12-5-6-14-49(43)50)46-27-22-42(23-28-46)45-26-34-53-51-15-7-9-18-57(51)63(3,4)59(53)38-45/h5-39H,1-4H3
InChIKeyXXDSRJWZOCRDFC-UHFFFAOYSA-N
XLogP16.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.09
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167176670
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 165052112
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 160929151
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158189817
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 170421373) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc31)c1cc(C)ccc1-2.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is XXDSRJWZOCRDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N/c1-40-20-32-54-55-33-21-41(2)37-61(55)64(60(54)36-40)58-19-10-8-16-52(58)56-35-31-48(39-62(56)64)65(47-29-24-44(25-30-47)50-17-11-13-43-12-5-6-14-49(43)50)46-27-22-42(23-28-46)45-26-34-53-51-15-7-9-18-57(51)63(3,4)59(53)38-45/h5-39H,1-4H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 830.09 g/mol, XLogP of 16.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 170421373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).