14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine

C53H37NO — CID 134392895

IUPAC14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine
SMILESCC1(C)c2ccccc2-c2c1c(N(c1cccc(-c3cccc4ccccc34)c1)c1cccc(-c3cccc4ccccc34)c1)cc1oc3ccccc3c21
InChIInChI=1S/C53H37NO/c1-53(2)46-29-9-7-25-44(46)51-50-45-26-8-10-30-48(45)55-49(50)33-47(52(51)53)54(38-21-11-19-36(31-38)42-27-13-17-34-15-3-5-23-40(34)42)39-22-12-20-37(32-39)43-28-14-18-35-16-4-6-24-41(35)43/h3-33H,1-2H3
InChIKeySIESDZOOCBBVKR-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine

14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine (PubChem CID 134392895) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine.

Molecular Properties

Compound Name14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine
PubChem CID134392895
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC Name14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine
SMILESCC1(C)c2ccccc2-c2c1c(N(c1cccc(-c3cccc4ccccc34)c1)c1cccc(-c3cccc4ccccc34)c1)cc1oc3ccccc3c21
InChIInChI=1S/C53H37NO/c1-53(2)46-29-9-7-25-44(46)51-50-45-26-8-10-30-48(45)55-49(50)33-47(52(51)53)54(38-21-11-19-36(31-38)42-27-13-17-34-15-3-5-23-40(34)42)39-22-12-20-37(32-39)43-28-14-18-35-16-4-6-24-41(35)43/h3-33H,1-2H3
InChIKeySIESDZOOCBBVKR-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine?
The IUPAC name of 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine (CID 134392895) is 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine.
What is the SMILES notation for 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine?
The canonical SMILES for 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine is CC1(C)c2ccccc2-c2c1c(N(c1cccc(-c3cccc4ccccc34)c1)c1cccc(-c3cccc4ccccc34)c1)cc1oc3ccccc3c21.
What is the InChIKey of 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine?
The InChIKey is SIESDZOOCBBVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)46-29-9-7-25-44(46)51-50-45-26-8-10-30-48(45)55-49(50)33-47(52(51)53)54(38-21-11-19-36(31-38)42-27-13-17-34-15-3-5-23-40(34)42)39-22-12-20-37(32-39)43-28-14-18-35-16-4-6-24-41(35)43/h3-33H,1-2H3.
What are the key properties of 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine?
14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine has a molecular weight of 703.89 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-N,N-bis(3-naphthalen-1-ylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-12-amine is sourced from PubChem (CID 134392895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).