CID 174066282

C36H26BN — CID 174066282

IUPAC—
SMILES[B]c1ccccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C36H26BN/c37-35-17-9-7-15-33(35)30-21-25-32(26-22-30)38(31-23-19-28(20-24-31)27-11-3-1-4-12-27)36-18-10-8-16-34(36)29-13-5-2-6-14-29/h1-26H
InChIKeyPRCRSLPHBZECIQ-UHFFFAOYSA-N
MW483.42 g/mol
LogP8.95
Rot. Bonds6

About CID 174066282

CID 174066282 (PubChem CID 174066282) has the molecular formula C36H26BN and a molecular weight of 483.42 g/mol.

Molecular Properties

Compound NameCID 174066282
PubChem CID174066282
Molecular FormulaC36H26BN
Molecular Weight483.42 g/mol
Exact Mass483.22
IUPAC Name—
SMILES[B]c1ccccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C36H26BN/c37-35-17-9-7-15-33(35)30-21-25-32(26-22-30)38(31-23-19-28(20-24-31)27-11-3-1-4-12-27)36-18-10-8-16-34(36)29-13-5-2-6-14-29/h1-26H
InChIKeyPRCRSLPHBZECIQ-UHFFFAOYSA-N
XLogP8.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.42
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid
CID 145128679
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156

Frequently Asked Questions

What is the IUPAC name of CID 174066282?
The IUPAC name of CID 174066282 (CID 174066282) is not available.
What is the SMILES notation for CID 174066282?
The canonical SMILES for CID 174066282 is [B]c1ccccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of CID 174066282?
The InChIKey is PRCRSLPHBZECIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26BN/c37-35-17-9-7-15-33(35)30-21-25-32(26-22-30)38(31-23-19-28(20-24-31)27-11-3-1-4-12-27)36-18-10-8-16-34(36)29-13-5-2-6-14-29/h1-26H.
What are the key properties of CID 174066282?
CID 174066282 has a molecular weight of 483.42 g/mol, XLogP of 8.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174066282 is sourced from PubChem (CID 174066282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).