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

C62H41NO — CID 176597453

IUPAC10-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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4Oc4c(cccc4-c4cccc6ccccc46)-c4cc6ccccc6cc4-5)cc3)cc2)cc1
InChIInChI=1S/C62H41NO/c1-3-14-42(15-4-1)44-28-30-45(31-29-44)47-34-38-52(39-35-47)63(51-36-32-46(33-37-51)43-16-5-2-6-17-43)60-27-13-26-57-59-41-50-20-8-7-19-49(50)40-58(59)56-25-12-24-55(61(56)64-62(57)60)54-23-11-21-48-18-9-10-22-53(48)54/h1-41H
InChIKeySHMPBGYREKFRQL-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.57
Rot. Bonds7

About 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

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 (PubChem CID 176597453) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID176597453
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC Name10-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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4Oc4c(cccc4-c4cccc6ccccc46)-c4cc6ccccc6cc4-5)cc3)cc2)cc1
InChIInChI=1S/C62H41NO/c1-3-14-42(15-4-1)44-28-30-45(31-29-44)47-34-38-52(39-35-47)63(51-36-32-46(33-37-51)43-16-5-2-6-17-43)60-27-13-26-57-59-41-50-20-8-7-19-49(50)40-58(59)56-25-12-24-55(61(56)64-62(57)60)54-23-11-21-48-18-9-10-22-53(48)54/h1-41H
InChIKeySHMPBGYREKFRQL-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 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 with MolForge

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Related Compounds

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-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
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
6-N,10-N-dinaphthalen-1-yl-6-N,10-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
CID 166900661
N-(3,4-diphenylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]naphthalen-1-amine
CID 164832008
16-naphthalen-1-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-amine
CID 176598374
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-5-amine
CID 166031744
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 164831588
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaen-6-amine
CID 162774392

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4Oc4c(cccc4-c4cccc6ccccc46)-c4cc6ccccc6cc4-5)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is SHMPBGYREKFRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-3-14-42(15-4-1)44-28-30-45(31-29-44)47-34-38-52(39-35-47)63(51-36-32-46(33-37-51)43-16-5-2-6-17-43)60-27-13-26-57-59-41-50-20-8-7-19-49(50)40-58(59)56-25-12-24-55(61(56)64-62(57)60)54-23-11-21-48-18-9-10-22-53(48)54/h1-41H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 176597453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).