CID 163410811

C37H28BN — CID 163410811

IUPAC—
SMILES[B]c1cc2ccccc2cc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C37H28BN/c1-37(2)34-15-9-8-14-31(34)32-21-20-30(24-35(32)37)39(28-12-4-3-5-13-28)29-18-16-25(17-19-29)33-22-26-10-6-7-11-27(26)23-36(33)38/h3-24H,1-2H3
InChIKeyQHKWKLWKVQBQLP-UHFFFAOYSA-N
MW497.45 g/mol
LogP9.08
Rot. Bonds4

About CID 163410811

CID 163410811 (PubChem CID 163410811) has the molecular formula C37H28BN and a molecular weight of 497.45 g/mol.

Molecular Properties

Compound NameCID 163410811
PubChem CID163410811
Molecular FormulaC37H28BN
Molecular Weight497.45 g/mol
Exact Mass497.23
IUPAC Name—
SMILES[B]c1cc2ccccc2cc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C37H28BN/c1-37(2)34-15-9-8-14-31(34)32-21-20-30(24-35(32)37)39(28-12-4-3-5-13-28)29-18-16-25(17-19-29)33-22-26-10-6-7-11-27(26)23-36(33)38/h3-24H,1-2H3
InChIKeyQHKWKLWKVQBQLP-UHFFFAOYSA-N
XLogP9.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.45
LogP ≤ 59.08
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

9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286735
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-phenylquinolin-2-yl)phenyl]fluoren-2-amine
CID 170652875
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624

Frequently Asked Questions

What is the IUPAC name of CID 163410811?
The IUPAC name of CID 163410811 (CID 163410811) is not available.
What is the SMILES notation for CID 163410811?
The canonical SMILES for CID 163410811 is [B]c1cc2ccccc2cc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of CID 163410811?
The InChIKey is QHKWKLWKVQBQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28BN/c1-37(2)34-15-9-8-14-31(34)32-21-20-30(24-35(32)37)39(28-12-4-3-5-13-28)29-18-16-25(17-19-29)33-22-26-10-6-7-11-27(26)23-36(33)38/h3-24H,1-2H3.
What are the key properties of CID 163410811?
CID 163410811 has a molecular weight of 497.45 g/mol, XLogP of 9.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163410811 is sourced from PubChem (CID 163410811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).