N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine

C50H33NO — CID 176598472

IUPACN-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3Oc3c(-c5ccccc5)cccc3-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-13-34(14-4-1)36-25-28-41(29-26-36)51(42-30-27-35-15-7-8-18-38(35)31-42)48-24-12-23-45-47-33-40-20-10-9-19-39(40)32-46(47)44-22-11-21-43(49(44)52-50(45)48)37-16-5-2-6-17-37/h1-33H
InChIKeyUPHSMJQGBADDCC-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.24
Rot. Bonds5

About N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine

N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine (PubChem CID 176598472) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine
PubChem CID176598472
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3Oc3c(-c5ccccc5)cccc3-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-13-34(14-4-1)36-25-28-41(29-26-36)51(42-30-27-35-15-7-8-18-38(35)31-42)48-24-12-23-45-47-33-40-20-10-9-19-39(40)32-46(47)44-22-11-21-43(49(44)52-50(45)48)37-16-5-2-6-17-37/h1-33H
InChIKeyUPHSMJQGBADDCC-UHFFFAOYSA-N
XLogP14.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine with MolForge

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Related Compounds

10-naphthalen-1-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine
CID 176597453
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8(13),9,11,15,17,19,21-undecaen-12-amine
CID 176598344
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
16-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032610
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 139352585
13-naphthalen-1-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine
CID 176597789
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 172502216
N-naphthalen-2-yl-3,16-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 176597550
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168789545
N-(9,9-dimethylfluoren-2-yl)-11-naphthalen-2-yl-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine
CID 176597541

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine?
The IUPAC name of N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine (CID 176598472) is N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine.
What is the SMILES notation for N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine?
The canonical SMILES for N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3Oc3c(-c5ccccc5)cccc3-c3cc5ccccc5cc3-4)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine?
The InChIKey is UPHSMJQGBADDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-13-34(14-4-1)36-25-28-41(29-26-36)51(42-30-27-35-15-7-8-18-38(35)31-42)48-24-12-23-45-47-33-40-20-10-9-19-39(40)32-46(47)44-22-11-21-43(49(44)52-50(45)48)37-16-5-2-6-17-37/h1-33H.
What are the key properties of N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine?
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine has a molecular weight of 663.82 g/mol, XLogP of 14.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine is sourced from PubChem (CID 176598472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).