9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine

C62H43N — CID 168750034

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc34)cc21
InChIInChI=1S/C62H43N/c1-61(2)54-24-12-8-19-47(54)51-34-33-44(39-59(51)61)63(43-31-28-41(29-32-43)40-16-4-3-5-17-40)60-37-35-45(46-18-6-7-23-52(46)60)42-30-36-58-53(38-42)50-22-11-15-27-57(50)62(58)55-25-13-9-20-48(55)49-21-10-14-26-56(49)62/h3-39H,1-2H3
InChIKeyODZMPOQGHVUAKR-UHFFFAOYSA-N
MW802.03 g/mol
LogP16.29
Rot. Bonds5

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine (PubChem CID 168750034) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
PubChem CID168750034
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc34)cc21
InChIInChI=1S/C62H43N/c1-61(2)54-24-12-8-19-47(54)51-34-33-44(39-59(51)61)63(43-31-28-41(29-32-43)40-16-4-3-5-17-40)60-37-35-45(46-18-6-7-23-52(46)60)42-30-36-58-53(38-42)50-22-11-15-27-57(50)62(58)55-25-13-9-20-48(55)49-21-10-14-26-56(49)62/h3-39H,1-2H3
InChIKeyODZMPOQGHVUAKR-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-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
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-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
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-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine (CID 168750034) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine?
The InChIKey is ODZMPOQGHVUAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-61(2)54-24-12-8-19-47(54)51-34-33-44(39-59(51)61)63(43-31-28-41(29-32-43)40-16-4-3-5-17-40)60-37-35-45(46-18-6-7-23-52(46)60)42-30-36-58-53(38-42)50-22-11-15-27-57(50)62(58)55-25-13-9-20-48(55)49-21-10-14-26-56(49)62/h3-39H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-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 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine is sourced from PubChem (CID 168750034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).