CID 174239153

C36H27BrNPSb — CID 174239153

IUPAC—
SMILES[Br-].[Sb].c1ccc(-n2c3ccccc3c3cc([P+](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C36H27NP.BrH.Sb/c1-5-15-28(16-6-1)37-35-24-14-13-23-33(35)34-27-32(25-26-36(34)37)38(29-17-7-2-8-18-29,30-19-9-3-10-20-30)31-21-11-4-12-22-31;;/h1-27H;1H;/q+1;;/p-1
InChIKeyCZFOEBWZROJUHN-UHFFFAOYSA-M
MW706.26 g/mol
LogP4.03
Rot. Bonds5

About CID 174239153

CID 174239153 (PubChem CID 174239153) has the molecular formula C36H27BrNPSb and a molecular weight of 706.26 g/mol.

Molecular Properties

Compound NameCID 174239153
PubChem CID174239153
Molecular FormulaC36H27BrNPSb
Molecular Weight706.26 g/mol
Exact Mass704.01
IUPAC Name—
SMILES[Br-].[Sb].c1ccc(-n2c3ccccc3c3cc([P+](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C36H27NP.BrH.Sb/c1-5-15-28(16-6-1)37-35-24-14-13-23-33(35)34-27-32(25-26-36(34)37)38(29-17-7-2-8-18-29,30-19-9-3-10-20-30)31-21-11-4-12-22-31;;/h1-27H;1H;/q+1;;/p-1
InChIKeyCZFOEBWZROJUHN-UHFFFAOYSA-M
XLogP4.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500706.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
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3-iodo-9-phenylcarbazole
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3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
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9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of CID 174239153?
The IUPAC name of CID 174239153 (CID 174239153) is not available.
What is the SMILES notation for CID 174239153?
The canonical SMILES for CID 174239153 is [Br-].[Sb].c1ccc(-n2c3ccccc3c3cc([P+](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of CID 174239153?
The InChIKey is CZFOEBWZROJUHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C36H27NP.BrH.Sb/c1-5-15-28(16-6-1)37-35-24-14-13-23-33(35)34-27-32(25-26-36(34)37)38(29-17-7-2-8-18-29,30-19-9-3-10-20-30)31-21-11-4-12-22-31;;/h1-27H;1H;/q+1;;/p-1.
What are the key properties of CID 174239153?
CID 174239153 has a molecular weight of 706.26 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174239153 is sourced from PubChem (CID 174239153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).