N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine

C68H45N — CID 163289480

IUPACN-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccccc4)cc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C68H45N/c1-5-22-46(23-6-1)48-26-21-31-52(42-48)69(53-40-41-57-56-34-13-17-36-59(56)67(63(57)45-53,50-27-9-3-10-28-50)51-29-11-4-12-30-51)65-44-49(47-24-7-2-8-25-47)43-64-66(65)58-35-16-20-39-62(58)68(64)60-37-18-14-32-54(60)55-33-15-19-38-61(55)68/h1-45H
InChIKeyUMWUZDAZGWMBRD-UHFFFAOYSA-N
MW876.12 g/mol
LogP17.20
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine

N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine (PubChem CID 163289480) has the molecular formula C68H45N and a molecular weight of 876.12 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
PubChem CID163289480
Molecular FormulaC68H45N
Molecular Weight876.12 g/mol
Exact Mass875.36
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccccc4)cc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C68H45N/c1-5-22-46(23-6-1)48-26-21-31-52(42-48)69(53-40-41-57-56-34-13-17-36-59(56)67(63(57)45-53,50-27-9-3-10-28-50)51-29-11-4-12-30-51)65-44-49(47-24-7-2-8-25-47)43-64-66(65)58-35-16-20-39-62(58)68(64)60-37-18-14-32-54(60)55-33-15-19-38-61(55)68/h1-45H
InChIKeyUMWUZDAZGWMBRD-UHFFFAOYSA-N
XLogP17.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.12
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258869
N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325438
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159700387
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298464
N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine
CID 167176307
N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine
CID 165158463
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine (CID 163289480) is N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccccc4)cc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine?
The InChIKey is UMWUZDAZGWMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N/c1-5-22-46(23-6-1)48-26-21-31-52(42-48)69(53-40-41-57-56-34-13-17-36-59(56)67(63(57)45-53,50-27-9-3-10-28-50)51-29-11-4-12-30-51)65-44-49(47-24-7-2-8-25-47)43-64-66(65)58-35-16-20-39-62(58)68(64)60-37-18-14-32-54(60)55-33-15-19-38-61(55)68/h1-45H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine?
N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine has a molecular weight of 876.12 g/mol, XLogP of 17.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine is sourced from PubChem (CID 163289480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).