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

C62H41NO — CID 176598172

IUPAC4-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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Oc4cc6ccccc6cc4-c4cc(-c6cccc7ccccc67)ccc4-5)cc3)cc2)cc1
InChIInChI=1S/C62H41NO/c1-3-12-42(13-4-1)44-22-24-45(25-23-44)47-28-33-53(34-29-47)63(52-31-26-46(27-32-52)43-14-5-2-6-15-43)54-35-37-58-57-36-30-51(56-21-11-19-48-16-9-10-20-55(48)56)39-59(57)60-38-49-17-7-8-18-50(49)40-61(60)64-62(58)41-54/h1-41H
InChIKeyKTPDVXMBKAVOEL-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.57
Rot. Bonds7

About 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

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 (PubChem CID 176598172) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID176598172
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC Name4-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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Oc4cc6ccccc6cc4-c4cc(-c6cccc7ccccc67)ccc4-5)cc3)cc2)cc1
InChIInChI=1S/C62H41NO/c1-3-12-42(13-4-1)44-22-24-45(25-23-44)47-28-33-53(34-29-47)63(52-31-26-46(27-32-52)43-14-5-2-6-15-43)54-35-37-58-57-36-30-51(56-21-11-19-48-16-9-10-20-55(48)56)39-59(57)60-38-49-17-7-8-18-50(49)40-61(60)64-62(58)41-54/h1-41H
InChIKeyKTPDVXMBKAVOEL-UHFFFAOYSA-N
XLogP17.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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
3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine
CID 176597562
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
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-(3-naphthalen-1-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-N-(4-phenylphenyl)aniline
CID 174305442
N-(4-naphthalen-1-ylphenyl)-17-phenyl-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 166032157
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-5-amine
CID 171757615
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Oc4cc6ccccc6cc4-c4cc(-c6cccc7ccccc67)ccc4-5)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KTPDVXMBKAVOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-3-12-42(13-4-1)44-22-24-45(25-23-44)47-28-33-53(34-29-47)63(52-31-26-46(27-32-52)43-14-5-2-6-15-43)54-35-37-58-57-36-30-51(56-21-11-19-48-16-9-10-20-55(48)56)39-59(57)60-38-49-17-7-8-18-50(49)40-61(60)64-62(58)41-54/h1-41H.
What are the key properties of 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?
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 has a molecular weight of 816.02 g/mol, XLogP of 17.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176598172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).