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

C67H45N — CID 168789232

IUPACN-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C67H45N/c1-4-21-46(22-5-1)50-27-18-28-51(45-50)47-41-43-52(44-42-47)68(63-39-19-34-54(49-25-8-3-9-26-49)65(63)57-32-11-10-29-53(57)48-23-6-2-7-24-48)64-40-20-38-62-66(64)58-33-14-17-37-61(58)67(62)59-35-15-12-30-55(59)56-31-13-16-36-60(56)67/h1-45H
InChIKeyUFHXOPJZTIYUSN-UHFFFAOYSA-N
MW864.10 g/mol
LogP17.83
Rot. Bonds8

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

N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 168789232) has the molecular formula C67H45N and a molecular weight of 864.10 g/mol. Its IUPAC name is N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID168789232
Molecular FormulaC67H45N
Molecular Weight864.10 g/mol
Exact Mass863.36
IUPAC NameN-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C67H45N/c1-4-21-46(22-5-1)50-27-18-28-51(45-50)47-41-43-52(44-42-47)68(63-39-19-34-54(49-25-8-3-9-26-49)65(63)57-32-11-10-29-53(57)48-23-6-2-7-24-48)64-40-20-38-62-66(64)58-33-14-17-37-61(58)67(62)59-35-15-12-30-55(59)56-31-13-16-36-60(56)67/h1-45H
InChIKeyUFHXOPJZTIYUSN-UHFFFAOYSA-N
XLogP17.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.10
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789323
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790005
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 138476676
CID 118153763
CID 118153763
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
4'-phenyl-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258808
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 159195923

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 168789232) is N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1.
What is the InChIKey of N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is UFHXOPJZTIYUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N/c1-4-21-46(22-5-1)50-27-18-28-51(45-50)47-41-43-52(44-42-47)68(63-39-19-34-54(49-25-8-3-9-26-49)65(63)57-32-11-10-29-53(57)48-23-6-2-7-24-48)64-40-20-38-62-66(64)58-33-14-17-37-61(58)67(62)59-35-15-12-30-55(59)56-31-13-16-36-60(56)67/h1-45H.
What are the key properties of N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 864.10 g/mol, XLogP of 17.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 168789232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).