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

C68H45N — CID 118298454

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C68H45N/c1-4-21-46(22-5-1)47-23-20-24-48(43-47)53-29-14-19-38-66(53)69(51-39-41-58-56-32-10-15-34-60(56)67(64(58)44-51,49-25-6-2-7-26-49)50-27-8-3-9-28-50)52-40-42-59-57-33-13-18-37-63(57)68(65(59)45-52)61-35-16-11-30-54(61)55-31-12-17-36-62(55)68/h1-45H
InChIKeyLFJCVHOWYYJLJW-UHFFFAOYSA-N
MW876.12 g/mol
LogP17.20
Rot. Bonds7

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

N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118298454) has the molecular formula C68H45N and a molecular weight of 876.12 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID118298454
Molecular FormulaC68H45N
Molecular Weight876.12 g/mol
Exact Mass875.36
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C68H45N/c1-4-21-46(22-5-1)47-23-20-24-48(43-47)53-29-14-19-38-66(53)69(51-39-41-58-56-32-10-15-34-60(56)67(64(58)44-51,49-25-6-2-7-26-49)50-27-8-3-9-28-50)52-40-42-59-57-33-13-18-37-63(57)68(65(59)45-52)61-35-16-11-30-54(61)55-31-12-17-36-62(55)68/h1-45H
InChIKeyLFJCVHOWYYJLJW-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)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 159688731
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159940117
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(2-methyl-4-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 158108353
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779
N-[7-[3-[3-[2-(N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-2-phenylanilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 139469384
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346
N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)tetraphenylen-2-amine
CID 139297876
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
9,9-diphenyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)fluoren-2-amine
CID 174295753
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 171453618
9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171451168

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 118298454) is N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2cccc(-c3ccccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is LFJCVHOWYYJLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N/c1-4-21-46(22-5-1)47-23-20-24-48(43-47)53-29-14-19-38-66(53)69(51-39-41-58-56-32-10-15-34-60(56)67(64(58)44-51,49-25-6-2-7-26-49)50-27-8-3-9-28-50)52-40-42-59-57-33-13-18-37-63(57)68(65(59)45-52)61-35-16-11-30-54(61)55-31-12-17-36-62(55)68/h1-45H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-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)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118298454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).