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

C57H37N3 — CID 146369093

IUPACN-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine
SMILESc1ccc(-c2ccc(-c3nc(N(c4ccccc4-c4ccccc4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C57H37N3/c1-3-18-38(19-4-1)39-34-36-41(37-35-39)55-58-51-31-15-10-26-47(51)56(59-55)60(52-32-16-11-22-42(52)40-20-5-2-6-21-40)53-33-17-27-46-45-25-9-14-30-50(45)57(54(46)53)48-28-12-7-23-43(48)44-24-8-13-29-49(44)57/h1-37H
InChIKeyRNFXCFDXKPNVIB-UHFFFAOYSA-N
MW763.94 g/mol
LogP14.44
Rot. Bonds6

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

N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine (PubChem CID 146369093) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine
PubChem CID146369093
Molecular FormulaC57H37N3
Molecular Weight763.94 g/mol
Exact Mass763.30
IUPAC NameN-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine
SMILESc1ccc(-c2ccc(-c3nc(N(c4ccccc4-c4ccccc4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C57H37N3/c1-3-18-38(19-4-1)39-34-36-41(37-35-39)55-58-51-31-15-10-26-47(51)56(59-55)60(52-32-16-11-22-42(52)40-20-5-2-6-21-40)53-33-17-27-46-45-25-9-14-30-50(45)57(54(46)53)48-28-12-7-23-43(48)44-24-8-13-29-49(44)57/h1-37H
InChIKeyRNFXCFDXKPNVIB-UHFFFAOYSA-N
XLogP14.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine
CID 142427080
N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308426
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine;4-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine;4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine
CID 159086512
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine
CID 177063669
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855192
N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308422
4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306839
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 146648923
2-phenyl-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine
CID 146649119
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine
CID 142427238

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine?
The IUPAC name of N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine (CID 146369093) is N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine is c1ccc(-c2ccc(-c3nc(N(c4ccccc4-c4ccccc4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc4n3)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine?
The InChIKey is RNFXCFDXKPNVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3/c1-3-18-38(19-4-1)39-34-36-41(37-35-39)55-58-51-31-15-10-26-47(51)56(59-55)60(52-32-16-11-22-42(52)40-20-5-2-6-21-40)53-33-17-27-46-45-25-9-14-30-50(45)57(54(46)53)48-28-12-7-23-43(48)44-24-8-13-29-49(44)57/h1-37H.
What are the key properties of N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine?
N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine has a molecular weight of 763.94 g/mol, XLogP of 14.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine is sourced from PubChem (CID 146369093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).