N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine

C52H39N — CID 122626226

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CCCC4=C3C3(c5ccccc54)c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C52H39N/c1-51(2)44-22-10-6-17-38(44)42-32-31-37(33-48(42)51)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-21-43-41-20-9-13-25-47(41)52(50(43)49)45-23-11-7-18-39(45)40-19-8-12-24-46(40)52/h3-13,15-20,22-33H,14,21H2,1-2H3
InChIKeyZUQMXCJITULKSL-UHFFFAOYSA-N
MW677.89 g/mol
LogP13.26
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine (PubChem CID 122626226) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine
PubChem CID122626226
Molecular FormulaC52H39N
Molecular Weight677.89 g/mol
Exact Mass677.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CCCC4=C3C3(c5ccccc54)c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C52H39N/c1-51(2)44-22-10-6-17-38(44)42-32-31-37(33-48(42)51)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-21-43-41-20-9-13-25-47(41)52(50(43)49)45-23-11-7-18-39(45)40-19-8-12-24-46(40)52/h3-13,15-20,22-33H,14,21H2,1-2H3
InChIKeyZUQMXCJITULKSL-UHFFFAOYSA-N
XLogP13.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.89
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine
CID 146578293
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142340678
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine (CID 122626226) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CCCC4=C3C3(c5ccccc54)c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine?
The InChIKey is ZUQMXCJITULKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-51(2)44-22-10-6-17-38(44)42-32-31-37(33-48(42)51)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-21-43-41-20-9-13-25-47(41)52(50(43)49)45-23-11-7-18-39(45)40-19-8-12-24-46(40)52/h3-13,15-20,22-33H,14,21H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine has a molecular weight of 677.89 g/mol, XLogP of 13.26, 4 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)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine is sourced from PubChem (CID 122626226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).