CID 144628230

C27H18B5N — CID 144628230

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2ccc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c([B])c1[B]
InChIInChI=1S/C27H18B5N/c1-27(2)19-6-4-3-5-17(19)18-12-11-16(13-20(18)27)33-15-9-7-14(8-10-15)21-22(28)24(30)26(32)25(31)23(21)29/h3-13,33H,1-2H3
InChIKeyQHIDLEFSPMUQHD-UHFFFAOYSA-N
MW410.51 g/mol
LogP1.37
Rot. Bonds3

About CID 144628230

CID 144628230 (PubChem CID 144628230) has the molecular formula C27H18B5N and a molecular weight of 410.51 g/mol.

Molecular Properties

Compound NameCID 144628230
PubChem CID144628230
Molecular FormulaC27H18B5N
Molecular Weight410.51 g/mol
Exact Mass411.19
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2ccc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c([B])c1[B]
InChIInChI=1S/C27H18B5N/c1-27(2)19-6-4-3-5-17(19)18-12-11-16(13-20(18)27)33-15-9-7-14(8-10-15)21-22(28)24(30)26(32)25(31)23(21)29/h3-13,33H,1-2H3
InChIKeyQHIDLEFSPMUQHD-UHFFFAOYSA-N
XLogP1.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 51.37
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

9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-[4-(4-fluorophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 167260406
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
N-(4-phenylphenyl)-9,9-bis(trideuteriomethyl)fluoren-2-amine
CID 155619972
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890

Frequently Asked Questions

What is the IUPAC name of CID 144628230?
The IUPAC name of CID 144628230 (CID 144628230) is not available.
What is the SMILES notation for CID 144628230?
The canonical SMILES for CID 144628230 is [B]c1c([B])c([B])c(-c2ccc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c([B])c1[B].
What is the InChIKey of CID 144628230?
The InChIKey is QHIDLEFSPMUQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18B5N/c1-27(2)19-6-4-3-5-17(19)18-12-11-16(13-20(18)27)33-15-9-7-14(8-10-15)21-22(28)24(30)26(32)25(31)23(21)29/h3-13,33H,1-2H3.
What are the key properties of CID 144628230?
CID 144628230 has a molecular weight of 410.51 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144628230 is sourced from PubChem (CID 144628230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).