N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine

C50H33NO — CID 176598100

IUPACN-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3O4)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-11-34(12-4-1)37-19-23-42(24-20-37)51(43-25-21-36-15-7-8-16-38(36)29-43)44-26-28-49-48(33-44)46-30-41(35-13-5-2-6-14-35)22-27-45(46)47-31-39-17-9-10-18-40(39)32-50(47)52-49/h1-33H
InChIKeyUCKATEQNMXANEB-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.24
Rot. Bonds5

About N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine

N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine (PubChem CID 176598100) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine
PubChem CID176598100
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3O4)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-11-34(12-4-1)37-19-23-42(24-20-37)51(43-25-21-36-15-7-8-16-38(36)29-43)44-26-28-49-48(33-44)46-30-41(35-13-5-2-6-14-35)22-27-45(46)47-31-39-17-9-10-18-40(39)32-50(47)52-49/h1-33H
InChIKeyUCKATEQNMXANEB-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-5-phenyl-N-(4-phenylphenyl)-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-10-amine with MolForge

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Related Compounds

4-phenyl-N,N-bis(4-phenylphenyl)-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-11-amine
CID 176598086
5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine
CID 176598412
4-naphthalen-1-yl-N-(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-11-amine
CID 176598172
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]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 166031712
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 122629635
N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176598441
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
4-N,4-N,11-N,11-N-tetrakis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900445
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
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-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine?
The IUPAC name of N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine (CID 176598100) is N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine.
What is the SMILES notation for N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine?
The canonical SMILES for N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3O4)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine?
The InChIKey is UCKATEQNMXANEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-11-34(12-4-1)37-19-23-42(24-20-37)51(43-25-21-36-15-7-8-16-38(36)29-43)44-26-28-49-48(33-44)46-30-41(35-13-5-2-6-14-35)22-27-45(46)47-31-39-17-9-10-18-40(39)32-50(47)52-49/h1-33H.
What are the key properties of N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-amine?
N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-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-10-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-5-phenyl-N-(4-phenylphenyl)-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-10-amine is sourced from PubChem (CID 176598100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).