CID 174089341

C59H34B5NO — CID 174089341

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3c2oc2ccccc23)c([B])c1[B]
InChIInChI=1S/C59H34B5NO/c60-53-52(54(61)56(63)57(64)55(53)62)46-32-33-49(51-45-22-10-12-25-50(45)66-58(46)51)65(39-28-26-36(27-29-39)42-23-13-15-35-14-7-8-20-41(35)42)40-30-31-44-43-21-9-11-24-47(43)59(48(44)34-40,37-16-3-1-4-17-37)38-18-5-2-6-19-38/h1-34H
InChIKeyCIYXZCLOKVKNSB-UHFFFAOYSA-N
MW826.99 g/mol
LogP9.88
Rot. Bonds7

About CID 174089341

CID 174089341 (PubChem CID 174089341) has the molecular formula C59H34B5NO and a molecular weight of 826.99 g/mol.

Molecular Properties

Compound NameCID 174089341
PubChem CID174089341
Molecular FormulaC59H34B5NO
Molecular Weight826.99 g/mol
Exact Mass827.31
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3c2oc2ccccc23)c([B])c1[B]
InChIInChI=1S/C59H34B5NO/c60-53-52(54(61)56(63)57(64)55(53)62)46-32-33-49(51-45-22-10-12-25-50(45)66-58(46)51)65(39-28-26-36(27-29-39)42-23-13-15-35-14-7-8-20-41(35)42)40-30-31-44-43-21-9-11-24-47(43)59(48(44)34-40,37-16-3-1-4-17-37)38-18-5-2-6-19-38/h1-34H
InChIKeyCIYXZCLOKVKNSB-UHFFFAOYSA-N
XLogP9.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.99
LogP ≤ 59.88
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

N-(9,9-diphenylfluoren-2-yl)-4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 168847854
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 168847747
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170535410
N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234337
N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 159324099
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320689
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155304633
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423223
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 167330969

Frequently Asked Questions

What is the IUPAC name of CID 174089341?
The IUPAC name of CID 174089341 (CID 174089341) is not available.
What is the SMILES notation for CID 174089341?
The canonical SMILES for CID 174089341 is [B]c1c([B])c([B])c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3c2oc2ccccc23)c([B])c1[B].
What is the InChIKey of CID 174089341?
The InChIKey is CIYXZCLOKVKNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34B5NO/c60-53-52(54(61)56(63)57(64)55(53)62)46-32-33-49(51-45-22-10-12-25-50(45)66-58(46)51)65(39-28-26-36(27-29-39)42-23-13-15-35-14-7-8-20-41(35)42)40-30-31-44-43-21-9-11-24-47(43)59(48(44)34-40,37-16-3-1-4-17-37)38-18-5-2-6-19-38/h1-34H.
What are the key properties of CID 174089341?
CID 174089341 has a molecular weight of 826.99 g/mol, XLogP of 9.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174089341 is sourced from PubChem (CID 174089341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).