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

C61H41N — CID 171799079

IUPAC4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c(-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1
InChIInChI=1S/C61H41N/c1-4-17-42(18-5-1)45-33-37-49(38-34-45)62(50-39-35-46(36-40-50)43-19-6-2-7-20-43)58-32-16-31-57-60(58)53-26-11-13-29-55(53)61(57)54-28-12-10-25-52(54)59-51(27-15-30-56(59)61)48-24-14-23-47(41-48)44-21-8-3-9-22-44/h1-41H
InChIKeyFIALHBOPSBDMCX-UHFFFAOYSA-N
MW788.01 g/mol
LogP16.17
Rot. Bonds7

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

4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 171799079) has the molecular formula C61H41N and a molecular weight of 788.01 g/mol. Its IUPAC name is 4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound Name4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID171799079
Molecular FormulaC61H41N
Molecular Weight788.01 g/mol
Exact Mass787.32
IUPAC Name4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c(-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1
InChIInChI=1S/C61H41N/c1-4-17-42(18-5-1)45-33-37-49(38-34-45)62(50-39-35-46(36-40-50)43-19-6-2-7-20-43)58-32-16-31-57-60(58)53-26-11-13-29-55(53)61(57)54-28-12-10-25-52(54)59-51(27-15-30-56(59)61)48-24-14-23-47(41-48)44-21-8-3-9-22-44/h1-41H
InChIKeyFIALHBOPSBDMCX-UHFFFAOYSA-N
XLogP16.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.01
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

CID 118153763
CID 118153763
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
4'-phenyl-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258808
N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168789232
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476259
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4'-yl]phenyl]fluoren-4-amine
CID 129259115
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444

Frequently Asked Questions

What is the IUPAC name of 4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of 4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 171799079) is 4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for 4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for 4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c(-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1.
What is the InChIKey of 4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is FIALHBOPSBDMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N/c1-4-17-42(18-5-1)45-33-37-49(38-34-45)62(50-39-35-46(36-40-50)43-19-6-2-7-20-43)58-32-16-31-57-60(58)53-26-11-13-29-55(53)61(57)54-28-12-10-25-52(54)59-51(27-15-30-56(59)61)48-24-14-23-47(41-48)44-21-8-3-9-22-44/h1-41H.
What are the key properties of 4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 788.01 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 171799079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).