CID 174104017

C35H28BN — CID 174104017

IUPAC—
SMILES[B]C1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C35H28BN/c1-34(2)28-15-7-5-13-27(28)33-26(14-10-17-30(33)34)25-12-6-9-18-32(25)37-22-19-20-24-23-11-4-8-16-29(23)35(3,36)31(24)21-22/h4-21,37H,1-3H3
InChIKeyFNASPUAJERMXJH-UHFFFAOYSA-N
MW473.43 g/mol
LogP8.82
Rot. Bonds3

About CID 174104017

CID 174104017 (PubChem CID 174104017) has the molecular formula C35H28BN and a molecular weight of 473.43 g/mol.

Molecular Properties

Compound NameCID 174104017
PubChem CID174104017
Molecular FormulaC35H28BN
Molecular Weight473.43 g/mol
Exact Mass473.23
IUPAC Name—
SMILES[B]C1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C35H28BN/c1-34(2)28-15-7-5-13-27(28)33-26(14-10-17-30(33)34)25-12-6-9-18-32(25)37-22-19-20-24-23-11-4-8-16-29(23)35(3,36)31(24)21-22/h4-21,37H,1-3H3
InChIKeyFNASPUAJERMXJH-UHFFFAOYSA-N
XLogP8.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.43
LogP ≤ 58.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
N-[2-(2-cyclobutylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124830
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine
CID 90128163
N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 156556685
9,9-dimethyl-N-[2-(6-methyl-3-pyridinyl)phenyl]fluoren-2-amine
CID 156556730

Frequently Asked Questions

What is the IUPAC name of CID 174104017?
The IUPAC name of CID 174104017 (CID 174104017) is not available.
What is the SMILES notation for CID 174104017?
The canonical SMILES for CID 174104017 is [B]C1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of CID 174104017?
The InChIKey is FNASPUAJERMXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28BN/c1-34(2)28-15-7-5-13-27(28)33-26(14-10-17-30(33)34)25-12-6-9-18-32(25)37-22-19-20-24-23-11-4-8-16-29(23)35(3,36)31(24)21-22/h4-21,37H,1-3H3.
What are the key properties of CID 174104017?
CID 174104017 has a molecular weight of 473.43 g/mol, XLogP of 8.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174104017 is sourced from PubChem (CID 174104017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).