N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

C58H41N — CID 118298482

IUPACN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)cc21
InChIInChI=1S/C58H41N/c1-57(2)51-22-12-9-19-45(51)48-33-30-43(36-54(48)57)59(42-28-25-40(26-29-42)38-15-5-3-6-16-38)44-31-34-50-47-21-11-14-24-53(47)58(56(50)37-44)52-23-13-10-20-46(52)49-32-27-41(35-55(49)58)39-17-7-4-8-18-39/h3-37H,1-2H3
InChIKeyNRCZCKBKRIDYKR-UHFFFAOYSA-N
MW751.97 g/mol
LogP15.14
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 118298482) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID118298482
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)cc21
InChIInChI=1S/C58H41N/c1-57(2)51-22-12-9-19-45(51)48-33-30-43(36-54(48)57)59(42-28-25-40(26-29-42)38-15-5-3-6-16-38)44-31-34-50-47-21-11-14-24-53(47)58(56(50)37-44)52-23-13-10-20-46(52)49-32-27-41(35-55(49)58)39-17-7-4-8-18-39/h3-37H,1-2H3
InChIKeyNRCZCKBKRIDYKR-UHFFFAOYSA-N
XLogP15.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
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-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 129263948
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (CID 118298482) is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is NRCZCKBKRIDYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-57(2)51-22-12-9-19-45(51)48-33-30-43(36-54(48)57)59(42-28-25-40(26-29-42)38-15-5-3-6-16-38)44-31-34-50-47-21-11-14-24-53(47)58(56(50)37-44)52-23-13-10-20-46(52)49-32-27-41(35-55(49)58)39-17-7-4-8-18-39/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 751.97 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 118298482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).