CID 174098939

C25H19BN — CID 174098939

IUPAC—
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc3c(cc21)-c1ccccc1[B]3
InChIInChI=1S/C25H19BN/c1-3-9-17(10-4-2)27-24-14-8-6-12-19(24)21-15-23-20(16-25(21)27)18-11-5-7-13-22(18)26-23/h3-16H,1H2,2H3/b10-4-,17-9+
InChIKeyWGFDPLWRILGXBN-JVLVOZANSA-N
MW344.25 g/mol
LogP5.03
Rot. Bonds3

About CID 174098939

CID 174098939 (PubChem CID 174098939) has the molecular formula C25H19BN and a molecular weight of 344.25 g/mol.

Molecular Properties

Compound NameCID 174098939
PubChem CID174098939
Molecular FormulaC25H19BN
Molecular Weight344.25 g/mol
Exact Mass344.16
IUPAC Name—
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc3c(cc21)-c1ccccc1[B]3
InChIInChI=1S/C25H19BN/c1-3-9-17(10-4-2)27-24-14-8-6-12-19(24)21-15-23-20(16-25(21)27)18-11-5-7-13-22(18)26-23/h3-16H,1H2,2H3/b10-4-,17-9+
InChIKeyWGFDPLWRILGXBN-JVLVOZANSA-N
XLogP5.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.03
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

3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 142321916
4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 146535446
3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 144645714
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole
CID 143924149
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-6-phenyl-9-(4-phenylphenyl)carbazole
CID 145269130
12-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzo[b]carbazol-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145051771
N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine
CID 144614568
[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylcarbazol-3-yl]-diphenylborane
CID 144597046
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]carbazol-3-amine
CID 166932932
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole
CID 153369792
4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 156643155
3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)-2,3-dihydrodibenzofuran-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 144956041

Frequently Asked Questions

What is the IUPAC name of CID 174098939?
The IUPAC name of CID 174098939 (CID 174098939) is not available.
What is the SMILES notation for CID 174098939?
The canonical SMILES for CID 174098939 is C=C/C=C(\C=C/C)n1c2ccccc2c2cc3c(cc21)-c1ccccc1[B]3.
What is the InChIKey of CID 174098939?
The InChIKey is WGFDPLWRILGXBN-JVLVOZANSA-N. The full InChI is InChI=1S/C25H19BN/c1-3-9-17(10-4-2)27-24-14-8-6-12-19(24)21-15-23-20(16-25(21)27)18-11-5-7-13-22(18)26-23/h3-16H,1H2,2H3/b10-4-,17-9+.
What are the key properties of CID 174098939?
CID 174098939 has a molecular weight of 344.25 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174098939 is sourced from PubChem (CID 174098939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).