CID 174066372

C52H30B5NO — CID 174066372

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc(-c4ccccc4)cc4c3oc3c(-c5ccccc5)cccc34)cc2)c([B])c1[B]
InChIInChI=1S/C52H30B5NO/c53-46-45(47(54)49(56)50(57)48(46)55)35-23-27-38(28-24-35)58(37-25-21-34(22-26-37)40-18-9-16-32-15-7-8-17-39(32)40)44-30-36(31-11-3-1-4-12-31)29-43-42-20-10-19-41(51(42)59-52(43)44)33-13-5-2-6-14-33/h1-30H
InChIKeyUDSRKGXOLIGXBN-UHFFFAOYSA-N
MW738.88 g/mol
LogP8.85
Rot. Bonds7

About CID 174066372

CID 174066372 (PubChem CID 174066372) has the molecular formula C52H30B5NO and a molecular weight of 738.88 g/mol.

Molecular Properties

Compound NameCID 174066372
PubChem CID174066372
Molecular FormulaC52H30B5NO
Molecular Weight738.88 g/mol
Exact Mass739.28
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc(-c4ccccc4)cc4c3oc3c(-c5ccccc5)cccc34)cc2)c([B])c1[B]
InChIInChI=1S/C52H30B5NO/c53-46-45(47(54)49(56)50(57)48(46)55)35-23-27-38(28-24-35)58(37-25-21-34(22-26-37)40-18-9-16-32-15-7-8-17-39(32)40)44-30-36(31-11-3-1-4-12-31)29-43-42-20-10-19-41(51(42)59-52(43)44)33-13-5-2-6-14-33/h1-30H
InChIKeyUDSRKGXOLIGXBN-UHFFFAOYSA-N
XLogP8.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.88
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-naphthalen-1-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771985
6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine
CID 168771919
N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 162090302
N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 168772002
CID 174063425
CID 174063425
N-(4-naphthalen-1-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277162
CID 174074843
CID 174074843
CID 174076533
CID 174076533
N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 160941283
N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 164831588
N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline
CID 175611063
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696

Frequently Asked Questions

What is the IUPAC name of CID 174066372?
The IUPAC name of CID 174066372 (CID 174066372) is not available.
What is the SMILES notation for CID 174066372?
The canonical SMILES for CID 174066372 is [B]c1c([B])c([B])c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc(-c4ccccc4)cc4c3oc3c(-c5ccccc5)cccc34)cc2)c([B])c1[B].
What is the InChIKey of CID 174066372?
The InChIKey is UDSRKGXOLIGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30B5NO/c53-46-45(47(54)49(56)50(57)48(46)55)35-23-27-38(28-24-35)58(37-25-21-34(22-26-37)40-18-9-16-32-15-7-8-17-39(32)40)44-30-36(31-11-3-1-4-12-31)29-43-42-20-10-19-41(51(42)59-52(43)44)33-13-5-2-6-14-33/h1-30H.
What are the key properties of CID 174066372?
CID 174066372 has a molecular weight of 738.88 g/mol, XLogP of 8.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174066372 is sourced from PubChem (CID 174066372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).