N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C60H45N — CID 154588670

IUPACN-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C60H45N/c1-38-22-30-49-50-31-23-39(2)35-56(50)60(55(49)34-38)53-21-13-19-46(42-16-9-6-10-17-42)58(53)51-33-29-45(37-57(51)60)61(43-26-24-41(25-27-43)40-14-7-5-8-15-40)44-28-32-48-47-18-11-12-20-52(47)59(3,4)54(48)36-44/h5-37H,1-4H3
InChIKeyXBZAQKFHAHOWGF-UHFFFAOYSA-N
MW780.03 g/mol
LogP15.76
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 154588670) has the molecular formula C60H45N and a molecular weight of 780.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID154588670
Molecular FormulaC60H45N
Molecular Weight780.03 g/mol
Exact Mass779.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C60H45N/c1-38-22-30-49-50-31-23-39(2)35-56(50)60(55(49)34-38)53-21-13-19-46(42-16-9-6-10-17-42)58(53)51-33-29-45(37-57(51)60)61(43-26-24-41(25-27-43)40-14-7-5-8-15-40)44-28-32-48-47-18-11-12-20-52(47)59(3,4)54(48)36-44/h5-37H,1-4H3
InChIKeyXBZAQKFHAHOWGF-UHFFFAOYSA-N
XLogP15.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.03
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
6,6,12,12-tetramethyl-N,N-bis(4-methylphenyl)-10-phenylindeno[1,2-b]fluoren-2-amine
CID 138455846
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
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,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 154588670) is N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is XBZAQKFHAHOWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N/c1-38-22-30-49-50-31-23-39(2)35-56(50)60(55(49)34-38)53-21-13-19-46(42-16-9-6-10-17-42)58(53)51-33-29-45(37-57(51)60)61(43-26-24-41(25-27-43)40-14-7-5-8-15-40)44-28-32-48-47-18-11-12-20-52(47)59(3,4)54(48)36-44/h5-37H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 780.03 g/mol, XLogP of 15.76, 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',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 154588670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).