N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine

C49H31N — CID 134568070

IUPACN-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C49H31N/c1-2-16-32(17-3-1)50(45-30-14-25-39-35-19-5-4-18-33(35)34-20-6-7-23-38(34)47(39)45)46-31-15-29-44-48(46)40-24-10-13-28-43(40)49(44)41-26-11-8-21-36(41)37-22-9-12-27-42(37)49/h1-31H
InChIKeyCWWQNCSOOMUYCW-UHFFFAOYSA-N
MW633.79 g/mol
LogP12.96
Rot. Bonds3

About N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine

N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 134568070) has the molecular formula C49H31N and a molecular weight of 633.79 g/mol. Its IUPAC name is N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
PubChem CID134568070
Molecular FormulaC49H31N
Molecular Weight633.79 g/mol
Exact Mass633.25
IUPAC NameN-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C49H31N/c1-2-16-32(17-3-1)50(45-30-14-25-39-35-19-5-4-18-33(35)34-20-6-7-23-38(34)47(39)45)46-31-15-29-44-48(46)40-24-10-13-28-43(40)49(44)41-26-11-8-21-36(41)37-22-9-12-27-42(37)49/h1-31H
InChIKeyCWWQNCSOOMUYCW-UHFFFAOYSA-N
XLogP12.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.79
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309031
N-(2,3,4,5,6-pentadeuteriophenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
CID 140901897
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 121391790
CID 118153721
CID 118153721
N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308524
N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 135251639
CID 118153763
CID 118153763
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 126538536
N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138477632
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine (CID 134568070) is N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine is c1ccc(N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is CWWQNCSOOMUYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N/c1-2-16-32(17-3-1)50(45-30-14-25-39-35-19-5-4-18-33(35)34-20-6-7-23-38(34)47(39)45)46-31-15-29-44-48(46)40-24-10-13-28-43(40)49(44)41-26-11-8-21-36(41)37-22-9-12-27-42(37)49/h1-31H.
What are the key properties of N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine?
N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 633.79 g/mol, XLogP of 12.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 134568070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).