N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine

C38H25NO — CID 174304804

IUPACN-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccccc2-c2cc3c4c(cccc4c2)Oc2ccccc2-3)c2cccc3ccccc23)cc1
InChIInChI=1S/C38H25NO/c1-2-15-29(16-3-1)39(35-21-10-13-26-12-4-5-17-30(26)35)34-20-8-6-18-31(34)28-24-27-14-11-23-37-38(27)33(25-28)32-19-7-9-22-36(32)40-37/h1-25H
InChIKeyJQPZPHSXWDPNRL-UHFFFAOYSA-N
MW511.62 g/mol
LogP10.90
Rot. Bonds4

About N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine

N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 174304804) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID174304804
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC NameN-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccccc2-c2cc3c4c(cccc4c2)Oc2ccccc2-3)c2cccc3ccccc23)cc1
InChIInChI=1S/C38H25NO/c1-2-15-29(16-3-1)39(35-21-10-13-26-12-4-5-17-30(26)35)34-20-8-6-18-31(34)28-24-27-14-11-23-37-38(27)33(25-28)32-19-7-9-22-36(32)40-37/h1-25H
InChIKeyJQPZPHSXWDPNRL-UHFFFAOYSA-N
XLogP10.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

2-naphthalen-1-yl-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 174304899
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline
CID 174306136
N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 174304156
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-2-phenylaniline
CID 174305515
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 122493278
N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)-N-phenylaniline
CID 174304052
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 174303883
3-N-naphthalen-1-yl-10-N-naphthalen-2-yl-3-N,10-N-bis(2-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359841
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177298119
15-[4-(6-phenyldibenzofuran-4-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177299157
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline
CID 174303968

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine (CID 174304804) is N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccccc2-c2cc3c4c(cccc4c2)Oc2ccccc2-3)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is JQPZPHSXWDPNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c1-2-15-29(16-3-1)39(35-21-10-13-26-12-4-5-17-30(26)35)34-20-8-6-18-31(34)28-24-27-14-11-23-37-38(27)33(25-28)32-19-7-9-22-36(32)40-37/h1-25H.
What are the key properties of N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine?
N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 511.62 g/mol, XLogP of 10.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 174304804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).