CID 174034385

C14H14BN — CID 174034385

IUPAC—
SMILES[B]N(C(/C=C\C=C)=C/C=C)c1ccccc1
InChIInChI=1S/C14H14BN/c1-3-5-10-13(9-4-2)16(15)14-11-7-6-8-12-14/h3-12H,1-2H2/b10-5-,13-9+
InChIKeyLCKRVBFHPAYEAY-GXCNYSEGSA-N
MW207.08 g/mol
LogP3.39
Rot. Bonds5

About CID 174034385

CID 174034385 (PubChem CID 174034385) has the molecular formula C14H14BN and a molecular weight of 207.08 g/mol.

Molecular Properties

Compound NameCID 174034385
PubChem CID174034385
Molecular FormulaC14H14BN
Molecular Weight207.08 g/mol
Exact Mass207.12
IUPAC Name—
SMILES[B]N(C(/C=C\C=C)=C/C=C)c1ccccc1
InChIInChI=1S/C14H14BN/c1-3-5-10-13(9-4-2)16(15)14-11-7-6-8-12-14/h3-12H,1-2H2/b10-5-,13-9+
InChIKeyLCKRVBFHPAYEAY-GXCNYSEGSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.08
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]aniline
CID 163504442
4-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-N-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anilino)phenyl]-1-N-[4-(N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 154968336
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylaniline
CID 144531022
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]phenyl]phenyl]-N-phenylaniline
CID 155279550
ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
CID 142868290
1-N-[(2Z,4E)-4-(N-[(3E,5Z)-octa-3,5,7-trien-4-yl]anilino)hepta-2,4,6-trienyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 134447766
4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]-N,N-diphenylaniline
CID 144794332
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-iodoaniline
CID 170206355
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-methyl-N-phenylaniline
CID 143789857
4-[10-[4-(N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]anilino)phenyl]anthracen-9-yl]-N,N-diphenylaniline
CID 146535858
4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde
CID 143629119

Frequently Asked Questions

What is the IUPAC name of CID 174034385?
The IUPAC name of CID 174034385 (CID 174034385) is not available.
What is the SMILES notation for CID 174034385?
The canonical SMILES for CID 174034385 is [B]N(C(/C=C\C=C)=C/C=C)c1ccccc1.
What is the InChIKey of CID 174034385?
The InChIKey is LCKRVBFHPAYEAY-GXCNYSEGSA-N. The full InChI is InChI=1S/C14H14BN/c1-3-5-10-13(9-4-2)16(15)14-11-7-6-8-12-14/h3-12H,1-2H2/b10-5-,13-9+.
What are the key properties of CID 174034385?
CID 174034385 has a molecular weight of 207.08 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174034385 is sourced from PubChem (CID 174034385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).