[16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol

C48H37NO2 — CID 11549210

IUPAC[16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cc2ccccc2c2c1CNCc1c(C(O)(c3ccccc3)c3ccccc3)cc3ccccc3c1-2
InChIInChI=1S/C48H37NO2/c50-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)43-29-33-17-13-15-27-39(33)45-41(43)31-49-32-42-44(30-34-18-14-16-28-40(34)46(42)45)48(51,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-30,49-51H,31-32H2
InChIKeyJAFCWYXTOJDQNO-UHFFFAOYSA-N
MW659.83 g/mol
LogP9.83
Rot. Bonds6

About [16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol

[16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol (PubChem CID 11549210) has the molecular formula C48H37NO2 and a molecular weight of 659.83 g/mol. Its IUPAC name is [16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol.

Molecular Properties

Compound Name[16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol
PubChem CID11549210
Molecular FormulaC48H37NO2
Molecular Weight659.83 g/mol
Exact Mass659.28
IUPAC Name[16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cc2ccccc2c2c1CNCc1c(C(O)(c3ccccc3)c3ccccc3)cc3ccccc3c1-2
InChIInChI=1S/C48H37NO2/c50-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)43-29-33-17-13-15-27-39(33)45-41(43)31-49-32-42-44(30-34-18-14-16-28-40(34)46(42)45)48(51,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-30,49-51H,31-32H2
InChIKeyJAFCWYXTOJDQNO-UHFFFAOYSA-N
XLogP9.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.83
LogP ≤ 59.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol?
The IUPAC name of [16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol (CID 11549210) is [16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol.
What is the SMILES notation for [16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol?
The canonical SMILES for [16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1cc2ccccc2c2c1CNCc1c(C(O)(c3ccccc3)c3ccccc3)cc3ccccc3c1-2.
What is the InChIKey of [16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol?
The InChIKey is JAFCWYXTOJDQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NO2/c50-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)43-29-33-17-13-15-27-39(33)45-41(43)31-49-32-42-44(30-34-18-14-16-28-40(34)46(42)45)48(51,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-30,49-51H,31-32H2.
What are the key properties of [16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol?
[16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol has a molecular weight of 659.83 g/mol, XLogP of 9.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [16-[hydroxy(diphenyl)methyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol is sourced from PubChem (CID 11549210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).