CID 88930604

C23H22BN — CID 88930604

IUPAC—
SMILES[B]c1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H22BN/c1-15-5-11-21-19(13-15)20-14-17(24)8-12-22(20)25(21)18-9-6-16(7-10-18)23(2,3)4/h5-14H,1-4H3
InChIKeyQCUNWCNVDVRNGU-UHFFFAOYSA-N
MW323.25 g/mol
LogP5.18
Rot. Bonds1

About CID 88930604

CID 88930604 (PubChem CID 88930604) has the molecular formula C23H22BN and a molecular weight of 323.25 g/mol.

Molecular Properties

Compound NameCID 88930604
PubChem CID88930604
Molecular FormulaC23H22BN
Molecular Weight323.25 g/mol
Exact Mass323.18
IUPAC Name—
SMILES[B]c1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H22BN/c1-15-5-11-21-19(13-15)20-14-17(24)8-12-22(20)25(21)18-9-6-16(7-10-18)23(2,3)4/h5-14H,1-4H3
InChIKeyQCUNWCNVDVRNGU-UHFFFAOYSA-N
XLogP5.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.25
LogP ≤ 55.18
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-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole
CID 91019320
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480016
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3,6-ditert-butyl-9-[6-(3-tert-butyl-6-methylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole
CID 153353487
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
9-(4-iodophenyl)-3,6-dimethylcarbazole
CID 141350753
9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole
CID 58939504
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297

Frequently Asked Questions

What is the IUPAC name of CID 88930604?
The IUPAC name of CID 88930604 (CID 88930604) is not available.
What is the SMILES notation for CID 88930604?
The canonical SMILES for CID 88930604 is [B]c1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of CID 88930604?
The InChIKey is QCUNWCNVDVRNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BN/c1-15-5-11-21-19(13-15)20-14-17(24)8-12-22(20)25(21)18-9-6-16(7-10-18)23(2,3)4/h5-14H,1-4H3.
What are the key properties of CID 88930604?
CID 88930604 has a molecular weight of 323.25 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88930604 is sourced from PubChem (CID 88930604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).