N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine

C73H53N — CID 170217548

IUPACN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C73H53N/c1-71(2)60-31-13-7-24-52(60)56-44-41-47(45-66(56)71)50-22-12-18-37-67(50)74(68-38-20-36-65-69(68)59-28-11-17-35-64(59)73(65)62-33-15-9-25-53(62)54-26-10-16-34-63(54)73)48-42-39-46(40-43-48)49-21-5-6-23-51(49)57-29-19-30-58-55-27-8-14-32-61(55)72(3,4)70(57)58/h5-45H,1-4H3
InChIKeyMNSSBQJFSOSQEB-UHFFFAOYSA-N
MW944.23 g/mol
LogP19.11
Rot. Bonds6

About N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 170217548) has the molecular formula C73H53N and a molecular weight of 944.23 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID170217548
Molecular FormulaC73H53N
Molecular Weight944.23 g/mol
Exact Mass943.42
IUPAC NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C73H53N/c1-71(2)60-31-13-7-24-52(60)56-44-41-47(45-66(56)71)50-22-12-18-37-67(50)74(68-38-20-36-65-69(68)59-28-11-17-35-64(59)73(65)62-33-15-9-25-53(62)54-26-10-16-34-63(54)73)48-42-39-46(40-43-48)49-21-5-6-23-51(49)57-29-19-30-58-55-27-8-14-32-61(55)72(3,4)70(57)58/h5-45H,1-4H3
InChIKeyMNSSBQJFSOSQEB-UHFFFAOYSA-N
XLogP19.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.23
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 135193258
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4'-yl]phenyl]fluoren-4-amine
CID 129259115
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267118
N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167177633
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168789950
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 170217548) is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is MNSSBQJFSOSQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H53N/c1-71(2)60-31-13-7-24-52(60)56-44-41-47(45-66(56)71)50-22-12-18-37-67(50)74(68-38-20-36-65-69(68)59-28-11-17-35-64(59)73(65)62-33-15-9-25-53(62)54-26-10-16-34-63(54)73)48-42-39-46(40-43-48)49-21-5-6-23-51(49)57-29-19-30-58-55-27-8-14-32-61(55)72(3,4)70(57)58/h5-45H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine?
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 944.23 g/mol, XLogP of 19.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 170217548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).