N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C62H43N — CID 118298615

IUPACN-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C62H43N/c1-61(2)58-37-45(44-28-27-41-17-6-7-18-42(41)35-44)29-32-52(58)53-33-30-47(38-59(53)61)63(46-20-14-19-43(36-46)40-15-4-3-5-16-40)48-31-34-54-51-23-10-13-26-57(51)62(60(54)39-48)55-24-11-8-21-49(55)50-22-9-12-25-56(50)62/h3-39H,1-2H3
InChIKeyZSNFEKNONUJYSG-UHFFFAOYSA-N
MW802.03 g/mol
LogP16.29
Rot. Bonds5

About N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118298615) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID118298615
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C62H43N/c1-61(2)58-37-45(44-28-27-41-17-6-7-18-42(41)35-44)29-32-52(58)53-33-30-47(38-59(53)61)63(46-20-14-19-43(36-46)40-15-4-3-5-16-40)48-31-34-54-51-23-10-13-26-57(51)62(60(54)39-48)55-24-11-8-21-49(55)50-22-9-12-25-56(50)62/h3-39H,1-2H3
InChIKeyZSNFEKNONUJYSG-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 146247595
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565951
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[3-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 160667042
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
2-N-[3-[7-[4-(N-[9,9-dimethyl-7-(N-(4-naphthalen-2-ylphenyl)anilino)fluoren-2-yl]anilino)phenyl]naphthalen-2-yl]phenyl]-2-N-[4-[4-[3-[4-[N-[9,9-dimethyl-7-(N-[4-(3-phenylphenyl)phenyl]anilino)fluoren-2-yl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 134482074
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 118298615) is N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is ZSNFEKNONUJYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-61(2)58-37-45(44-28-27-41-17-6-7-18-42(41)35-44)29-32-52(58)53-33-30-47(38-59(53)61)63(46-20-14-19-43(36-46)40-15-4-3-5-16-40)48-31-34-54-51-23-10-13-26-57(51)62(60(54)39-48)55-24-11-8-21-49(55)50-22-9-12-25-56(50)62/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 802.03 g/mol, XLogP of 16.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118298615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).