CID 174016389

C27H22BN — CID 174016389

IUPAC—
SMILES[B]c1cc2c(cc1Nc1ccc(-c3ccccc3)cc1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C27H22BN/c1-27(2)23-11-7-6-10-21(23)22-16-25(28)26(17-24(22)27)29-20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17,29H,1-2H3
InChIKeyMPZQQBVXSGJBGI-UHFFFAOYSA-N
MW371.29 g/mol
LogP6.20
Rot. Bonds3

About CID 174016389

CID 174016389 (PubChem CID 174016389) has the molecular formula C27H22BN and a molecular weight of 371.29 g/mol.

Molecular Properties

Compound NameCID 174016389
PubChem CID174016389
Molecular FormulaC27H22BN
Molecular Weight371.29 g/mol
Exact Mass371.18
IUPAC Name—
SMILES[B]c1cc2c(cc1Nc1ccc(-c3ccccc3)cc1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C27H22BN/c1-27(2)23-11-7-6-10-21(23)22-16-25(28)26(17-24(22)27)29-20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17,29H,1-2H3
InChIKeyMPZQQBVXSGJBGI-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.29
LogP ≤ 56.20
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 174016202
CID 174016202
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
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
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
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
N-(4-phenylphenyl)-9,9-bis(trideuteriomethyl)fluoren-2-amine
CID 155619972
CID 144628230
CID 144628230
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768

Frequently Asked Questions

What is the IUPAC name of CID 174016389?
The IUPAC name of CID 174016389 (CID 174016389) is not available.
What is the SMILES notation for CID 174016389?
The canonical SMILES for CID 174016389 is [B]c1cc2c(cc1Nc1ccc(-c3ccccc3)cc1)C(C)(C)c1ccccc1-2.
What is the InChIKey of CID 174016389?
The InChIKey is MPZQQBVXSGJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BN/c1-27(2)23-11-7-6-10-21(23)22-16-25(28)26(17-24(22)27)29-20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17,29H,1-2H3.
What are the key properties of CID 174016389?
CID 174016389 has a molecular weight of 371.29 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174016389 is sourced from PubChem (CID 174016389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).