9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine

C64H39NOS — CID 167132731

IUPAC9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5cc6c7ccccc7oc6c6c5sc5ccccc56)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C64H39NOS/c1-3-19-47(20-4-1)65(48-21-5-2-6-22-48)49-32-34-52-56(38-49)61(46-30-28-41-16-8-10-18-43(41)36-46)51-33-31-44(37-55(51)60(52)45-29-27-40-15-7-9-17-42(40)35-45)54-39-57-50-23-11-13-25-58(50)66-63(57)62-53-24-12-14-26-59(53)67-64(54)62/h1-39H
InChIKeyFFHWJMBJWAIURV-UHFFFAOYSA-N
MW870.09 g/mol
LogP19.04
Rot. Bonds6

About 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine

9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine (PubChem CID 167132731) has the molecular formula C64H39NOS and a molecular weight of 870.09 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine.

Molecular Properties

Compound Name9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine
PubChem CID167132731
Molecular FormulaC64H39NOS
Molecular Weight870.09 g/mol
Exact Mass869.28
IUPAC Name9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5cc6c7ccccc7oc6c6c5sc5ccccc56)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C64H39NOS/c1-3-19-47(20-4-1)65(48-21-5-2-6-22-48)49-32-34-52-56(38-49)61(46-30-28-41-16-8-10-18-43(41)36-46)51-33-31-44(37-55(51)60(52)45-29-27-40-15-7-9-17-42(40)35-45)54-39-57-50-23-11-13-25-58(50)66-63(57)62-53-24-12-14-26-59(53)67-64(54)62/h1-39H
InChIKeyFFHWJMBJWAIURV-UHFFFAOYSA-N
XLogP19.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.09
LogP ≤ 519.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine with MolForge

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Related Compounds

N-[4-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 167132517
4-naphthalen-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-phenylaniline
CID 167132675
N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 167132636
2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254502
6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167339368
6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167543413
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864
N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 161282619
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
N-naphthalen-1-yl-N-(4-phenylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 167132581
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
CID 176820484
4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919372

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine?
The IUPAC name of 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine (CID 167132731) is 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine.
What is the SMILES notation for 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine?
The canonical SMILES for 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine is c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5cc6c7ccccc7oc6c6c5sc5ccccc56)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine?
The InChIKey is FFHWJMBJWAIURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39NOS/c1-3-19-47(20-4-1)65(48-21-5-2-6-22-48)49-32-34-52-56(38-49)61(46-30-28-41-16-8-10-18-43(41)36-46)51-33-31-44(37-55(51)60(52)45-29-27-40-15-7-9-17-42(40)35-45)54-39-57-50-23-11-13-25-58(50)66-63(57)62-53-24-12-14-26-59(53)67-64(54)62/h1-39H.
What are the key properties of 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine?
9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine has a molecular weight of 870.09 g/mol, XLogP of 19.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine is sourced from PubChem (CID 167132731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).