CID 174016202

C30H28BN — CID 174016202

IUPAC—
SMILES[B]c1cc2c(cc1Nc1ccc(-c3ccccc3)cc1)C(C)(C)c1ccccc1C2(C)C
InChIInChI=1S/C30H28BN/c1-29(2)23-12-8-9-13-24(23)30(3,4)26-19-28(27(31)18-25(26)29)32-22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-19,32H,1-4H3
InChIKeyCMFDGXPHPFWOKV-UHFFFAOYSA-N
MW413.37 g/mol
LogP6.86
Rot. Bonds3

About CID 174016202

CID 174016202 (PubChem CID 174016202) has the molecular formula C30H28BN and a molecular weight of 413.37 g/mol.

Molecular Properties

Compound NameCID 174016202
PubChem CID174016202
Molecular FormulaC30H28BN
Molecular Weight413.37 g/mol
Exact Mass413.23
IUPAC Name—
SMILES[B]c1cc2c(cc1Nc1ccc(-c3ccccc3)cc1)C(C)(C)c1ccccc1C2(C)C
InChIInChI=1S/C30H28BN/c1-29(2)23-12-8-9-13-24(23)30(3,4)26-19-28(27(31)18-25(26)29)32-22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-19,32H,1-4H3
InChIKeyCMFDGXPHPFWOKV-UHFFFAOYSA-N
XLogP6.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.37
LogP ≤ 56.86
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

CID 174016389
CID 174016389
3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine
CID 163213279
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-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine
CID 164550724
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
CID 118682439
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
10,10-dimethyl-14-N,21-N-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88997003
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449602
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449621

Frequently Asked Questions

What is the IUPAC name of CID 174016202?
The IUPAC name of CID 174016202 (CID 174016202) is not available.
What is the SMILES notation for CID 174016202?
The canonical SMILES for CID 174016202 is [B]c1cc2c(cc1Nc1ccc(-c3ccccc3)cc1)C(C)(C)c1ccccc1C2(C)C.
What is the InChIKey of CID 174016202?
The InChIKey is CMFDGXPHPFWOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BN/c1-29(2)23-12-8-9-13-24(23)30(3,4)26-19-28(27(31)18-25(26)29)32-22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-19,32H,1-4H3.
What are the key properties of CID 174016202?
CID 174016202 has a molecular weight of 413.37 g/mol, XLogP of 6.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174016202 is sourced from PubChem (CID 174016202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).