CID 58601723

C30H24BN — CID 58601723

IUPAC—
SMILES[B]c1c(C)cc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1C
InChIInChI=1S/C30H24BN/c1-21-18-26(19-22(2)30(21)31)24-12-15-28(16-13-24)32(27-10-4-3-5-11-27)29-17-14-23-8-6-7-9-25(23)20-29/h3-20H,1-2H3
InChIKeyNALNGRRVDGVTQX-UHFFFAOYSA-N
MW409.34 g/mol
LogP7.39
Rot. Bonds4

About CID 58601723

CID 58601723 (PubChem CID 58601723) has the molecular formula C30H24BN and a molecular weight of 409.34 g/mol.

Molecular Properties

Compound NameCID 58601723
PubChem CID58601723
Molecular FormulaC30H24BN
Molecular Weight409.34 g/mol
Exact Mass409.20
IUPAC Name—
SMILES[B]c1c(C)cc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1C
InChIInChI=1S/C30H24BN/c1-21-18-26(19-22(2)30(21)31)24-12-15-28(16-13-24)32(27-10-4-3-5-11-27)29-17-14-23-8-6-7-9-25(23)20-29/h3-20H,1-2H3
InChIKeyNALNGRRVDGVTQX-UHFFFAOYSA-N
XLogP7.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.34
LogP ≤ 57.39
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

N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 165040481
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene
CID 143269183
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylnaphthalen-2-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 161479413

Frequently Asked Questions

What is the IUPAC name of CID 58601723?
The IUPAC name of CID 58601723 (CID 58601723) is not available.
What is the SMILES notation for CID 58601723?
The canonical SMILES for CID 58601723 is [B]c1c(C)cc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1C.
What is the InChIKey of CID 58601723?
The InChIKey is NALNGRRVDGVTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24BN/c1-21-18-26(19-22(2)30(21)31)24-12-15-28(16-13-24)32(27-10-4-3-5-11-27)29-17-14-23-8-6-7-9-25(23)20-29/h3-20H,1-2H3.
What are the key properties of CID 58601723?
CID 58601723 has a molecular weight of 409.34 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58601723 is sourced from PubChem (CID 58601723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).