CID 174005636

C26H28BN — CID 174005636

IUPAC—
SMILES[B]c1ccc2c(c1)c1cc(CCCC)ccc1n2-c1ccc(CCCC)cc1
InChIInChI=1S/C26H28BN/c1-3-5-7-19-9-13-22(14-10-19)28-25-15-11-20(8-6-4-2)17-23(25)24-18-21(27)12-16-26(24)28/h9-18H,3-8H2,1-2H3
InChIKeyWTPOFNHLUJSHPB-UHFFFAOYSA-N
MW365.33 g/mol
LogP6.26
Rot. Bonds7

About CID 174005636

CID 174005636 (PubChem CID 174005636) has the molecular formula C26H28BN and a molecular weight of 365.33 g/mol.

Molecular Properties

Compound NameCID 174005636
PubChem CID174005636
Molecular FormulaC26H28BN
Molecular Weight365.33 g/mol
Exact Mass365.23
IUPAC Name—
SMILES[B]c1ccc2c(c1)c1cc(CCCC)ccc1n2-c1ccc(CCCC)cc1
InChIInChI=1S/C26H28BN/c1-3-5-7-19-9-13-22(14-10-19)28-25-15-11-20(8-6-4-2)17-23(25)24-18-21(27)12-16-26(24)28/h9-18H,3-8H2,1-2H3
InChIKeyWTPOFNHLUJSHPB-UHFFFAOYSA-N
XLogP6.26
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.33
LogP ≤ 56.26
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

3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534
3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
CID 59845057
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole
CID 153373641
9-[4-[4-[4-(3,6-dihexylcarbazol-9-yl)phenyl]-2,5-dihexylphenyl]phenyl]-3,6-dihexylcarbazole
CID 154973928
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
9-(4-methoxyphenyl)-3,6-dipropylcarbazole
CID 154963806
5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504654
3,6-dibutyl-9-[4-[4-[3-[4-(3-butylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-pyridinyl]phenyl]carbazole
CID 146355722
9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole
CID 59273670
4-[(E)-2-[4-(3,6-dihexylcarbazol-9-yl)phenyl]ethenyl]benzonitrile
CID 146276106
5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole
CID 129133621

Frequently Asked Questions

What is the IUPAC name of CID 174005636?
The IUPAC name of CID 174005636 (CID 174005636) is not available.
What is the SMILES notation for CID 174005636?
The canonical SMILES for CID 174005636 is [B]c1ccc2c(c1)c1cc(CCCC)ccc1n2-c1ccc(CCCC)cc1.
What is the InChIKey of CID 174005636?
The InChIKey is WTPOFNHLUJSHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BN/c1-3-5-7-19-9-13-22(14-10-19)28-25-15-11-20(8-6-4-2)17-23(25)24-18-21(27)12-16-26(24)28/h9-18H,3-8H2,1-2H3.
What are the key properties of CID 174005636?
CID 174005636 has a molecular weight of 365.33 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174005636 is sourced from PubChem (CID 174005636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).