(6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene

C35H26N4O4 — CID 101336795

IUPAC(6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene
SMILESCOc1ccc2c3c(ccc2c1/N=N/c1ccccc1)OCOc1ccc2c(/N=N/c4ccccc4)c(OC)ccc2c1-3
InChIInChI=1S/C35H26N4O4/c1-40-30-19-13-24-26(34(30)38-36-22-9-5-3-6-10-22)15-17-28-32(24)33-25-14-20-31(41-2)35(39-37-23-11-7-4-8-12-23)27(25)16-18-29(33)43-21-42-28/h3-20H,21H2,1-2H3/b38-36+,39-37+
InChIKeyKQUIBWJBTQAOQC-NFSGFYSESA-N
MW566.62 g/mol
LogP10.24
Rot. Bonds6

About (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene

(6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene (PubChem CID 101336795) has the molecular formula C35H26N4O4 and a molecular weight of 566.62 g/mol. Its IUPAC name is (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene.

Molecular Properties

Compound Name(6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene
PubChem CID101336795
Molecular FormulaC35H26N4O4
Molecular Weight566.62 g/mol
Exact Mass566.20
IUPAC Name(6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene
SMILESCOc1ccc2c3c(ccc2c1/N=N/c1ccccc1)OCOc1ccc2c(/N=N/c4ccccc4)c(OC)ccc2c1-3
InChIInChI=1S/C35H26N4O4/c1-40-30-19-13-24-26(34(30)38-36-22-9-5-3-6-10-22)15-17-28-32(24)33-25-14-20-31(41-2)35(39-37-23-11-7-4-8-12-23)27(25)16-18-29(33)43-21-42-28/h3-20H,21H2,1-2H3/b38-36+,39-37+
InChIKeyKQUIBWJBTQAOQC-NFSGFYSESA-N
XLogP10.24
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene with MolForge

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Related Compounds

(4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene
CID 102056826
6,20-dimethoxy-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 162453579
2,6-dimethoxy-1,5-dinitrosonaphthalene
CID 174897734
4-(5-methoxy-1,3-benzodioxol-4-yl)butanoic acid
CID 117348701
[3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene
CID 3842295
2-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5-dimethoxyisoindole-1,3-dione
CID 53354868
6-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 125429610
2-(5-methoxy-1,3-benzodioxol-4-yl)-2-oxoacetic acid
CID 117321217
2-methoxy-4-phenyldiazenylnaphthalen-1-amine
CID 23338736
benzene;1,3-benzodioxole
CID 158998325
(3-acetyloxy-2-phenyldiazenylphenyl) acetate
CID 134935103
5-[2-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,3-benzodioxole
CID 170459628

Frequently Asked Questions

What is the IUPAC name of (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene?
The IUPAC name of (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene (CID 101336795) is (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene.
What is the SMILES notation for (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene?
The canonical SMILES for (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene is COc1ccc2c3c(ccc2c1/N=N/c1ccccc1)OCOc1ccc2c(/N=N/c4ccccc4)c(OC)ccc2c1-3.
What is the InChIKey of (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene?
The InChIKey is KQUIBWJBTQAOQC-NFSGFYSESA-N. The full InChI is InChI=1S/C35H26N4O4/c1-40-30-19-13-24-26(34(30)38-36-22-9-5-3-6-10-22)15-17-28-32(24)33-25-14-20-31(41-2)35(39-37-23-11-7-4-8-12-23)27(25)16-18-29(33)43-21-42-28/h3-20H,21H2,1-2H3/b38-36+,39-37+.
What are the key properties of (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene?
(6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene has a molecular weight of 566.62 g/mol, XLogP of 10.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene is sourced from PubChem (CID 101336795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).