CID 174101214

C42H23B5N2 — CID 174101214

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)c2)c([B])c1[B]
InChIInChI=1S/C42H23B5N2/c43-36-35(37(44)39(46)40(47)38(36)45)26-10-8-9-25(23-26)24-17-19-28(20-18-24)49-34-16-7-5-14-30(34)32-22-21-31-29-13-4-6-15-33(29)48(41(31)42(32)49)27-11-2-1-3-12-27/h1-23H
InChIKeyYTNDOAPNDFDZCT-UHFFFAOYSA-N
MW609.72 g/mol
LogP5.18
Rot. Bonds4

About CID 174101214

CID 174101214 (PubChem CID 174101214) has the molecular formula C42H23B5N2 and a molecular weight of 609.72 g/mol.

Molecular Properties

Compound NameCID 174101214
PubChem CID174101214
Molecular FormulaC42H23B5N2
Molecular Weight609.72 g/mol
Exact Mass610.23
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)c2)c([B])c1[B]
InChIInChI=1S/C42H23B5N2/c43-36-35(37(44)39(46)40(47)38(36)45)26-10-8-9-25(23-26)24-17-19-28(20-18-24)49-34-16-7-5-14-30(34)32-22-21-31-29-13-4-6-15-33(29)48(41(31)42(32)49)27-11-2-1-3-12-27/h1-23H
InChIKeyYTNDOAPNDFDZCT-UHFFFAOYSA-N
XLogP5.18
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.72
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
CID 174100891
CID 174100891
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
CID 174095915
CID 174095915
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010

Frequently Asked Questions

What is the IUPAC name of CID 174101214?
The IUPAC name of CID 174101214 (CID 174101214) is not available.
What is the SMILES notation for CID 174101214?
The canonical SMILES for CID 174101214 is [B]c1c([B])c([B])c(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)c2)c([B])c1[B].
What is the InChIKey of CID 174101214?
The InChIKey is YTNDOAPNDFDZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23B5N2/c43-36-35(37(44)39(46)40(47)38(36)45)26-10-8-9-25(23-26)24-17-19-28(20-18-24)49-34-16-7-5-14-30(34)32-22-21-31-29-13-4-6-15-33(29)48(41(31)42(32)49)27-11-2-1-3-12-27/h1-23H.
What are the key properties of CID 174101214?
CID 174101214 has a molecular weight of 609.72 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174101214 is sourced from PubChem (CID 174101214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).