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

C62H41NO — CID 176597789

IUPAC13-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)c4cccc5c4Oc4cccc(-c6cccc7ccccc67)c4-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)59-26-12-25-56-57-40-49-19-7-8-20-50(49)41-58(57)61-55(24-13-27-60(61)64-62(56)59)54-23-11-21-48-18-9-10-22-53(48)54/h1-41H
InChIKeySRYKXMJCFRMNRH-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.57
Rot. Bonds7

About 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

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 (PubChem CID 176597789) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-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 CID176597789
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC Name13-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)c4cccc5c4Oc4cccc(-c6cccc7ccccc67)c4-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)59-26-12-25-56-57-40-49-19-7-8-20-50(49)41-58(57)61-55(24-13-27-60(61)64-62(56)59)54-23-11-21-48-18-9-10-22-53(48)54/h1-41H
InChIKeySRYKXMJCFRMNRH-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 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 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,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
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
10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
CID 166900430
3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 168791024
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-phenyl-6-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine
CID 176598367
6-N,6-N,12-N-triphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855927
N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 177096983
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
18-phenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine
CID 176598228

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4Oc4cccc(-c6cccc7ccccc67)c4-c4cc6ccccc6cc4-5)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is SRYKXMJCFRMNRH-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)59-26-12-25-56-57-40-49-19-7-8-20-50(49)41-58(57)61-55(24-13-27-60(61)64-62(56)59)54-23-11-21-48-18-9-10-22-53(48)54/h1-41H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 176597789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).