CID 174074843

C52H30B5NO — CID 174074843

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2)c([B])c1[B]
InChIInChI=1S/C52H30B5NO/c53-47-46(48(54)50(56)51(57)49(47)55)35-19-26-41(27-20-35)58(39-22-15-32(16-23-39)37-14-13-31-7-4-5-10-36(31)29-37)40-24-17-33(18-25-40)38-21-28-45-44(30-38)43-12-6-11-42(52(43)59-45)34-8-2-1-3-9-34/h1-30H
InChIKeyUCIRBWRDGOJMSW-UHFFFAOYSA-N
MW738.88 g/mol
LogP8.85
Rot. Bonds7

About CID 174074843

CID 174074843 (PubChem CID 174074843) has the molecular formula C52H30B5NO and a molecular weight of 738.88 g/mol.

Molecular Properties

Compound NameCID 174074843
PubChem CID174074843
Molecular FormulaC52H30B5NO
Molecular Weight738.88 g/mol
Exact Mass739.28
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2)c([B])c1[B]
InChIInChI=1S/C52H30B5NO/c53-47-46(48(54)50(56)51(57)49(47)55)35-19-26-41(27-20-35)58(39-22-15-32(16-23-39)37-14-13-31-7-4-5-10-36(31)29-37)40-24-17-33(18-25-40)38-21-28-45-44(30-38)43-12-6-11-42(52(43)59-45)34-8-2-1-3-9-34/h1-30H
InChIKeyUCIRBWRDGOJMSW-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'}

Analyze CID 174074843 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 174076533
CID 174076533
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline
CID 168804509
N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804464
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168805244
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804792
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444

Frequently Asked Questions

What is the IUPAC name of CID 174074843?
The IUPAC name of CID 174074843 (CID 174074843) is not available.
What is the SMILES notation for CID 174074843?
The canonical SMILES for CID 174074843 is [B]c1c([B])c([B])c(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2)c([B])c1[B].
What is the InChIKey of CID 174074843?
The InChIKey is UCIRBWRDGOJMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30B5NO/c53-47-46(48(54)50(56)51(57)49(47)55)35-19-26-41(27-20-35)58(39-22-15-32(16-23-39)37-14-13-31-7-4-5-10-36(31)29-37)40-24-17-33(18-25-40)38-21-28-45-44(30-38)43-12-6-11-42(52(43)59-45)34-8-2-1-3-9-34/h1-30H.
What are the key properties of CID 174074843?
CID 174074843 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 174074843 is sourced from PubChem (CID 174074843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).