16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene

C38H24N2O — CID 160641409

IUPAC16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
SMILESc1ccc(N2c3ccccc3Oc3cc4c(cc32)N(c2cccc3ccccc23)c2cccc3cccc-4c23)cc1
InChIInChI=1S/C38H24N2O/c1-2-15-27(16-3-1)39-32-19-6-7-22-36(32)41-37-23-30-29-18-8-13-26-14-10-21-33(38(26)29)40(34(30)24-35(37)39)31-20-9-12-25-11-4-5-17-28(25)31/h1-24H
InChIKeyRJFLNBXDWZHLKR-UHFFFAOYSA-N
MW524.62 g/mol
LogP11.02
Rot. Bonds2

About 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene

16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene (PubChem CID 160641409) has the molecular formula C38H24N2O and a molecular weight of 524.62 g/mol. Its IUPAC name is 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene.

Molecular Properties

Compound Name16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
PubChem CID160641409
Molecular FormulaC38H24N2O
Molecular Weight524.62 g/mol
Exact Mass524.19
IUPAC Name16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
SMILESc1ccc(N2c3ccccc3Oc3cc4c(cc32)N(c2cccc3ccccc23)c2cccc3cccc-4c23)cc1
InChIInChI=1S/C38H24N2O/c1-2-15-27(16-3-1)39-32-19-6-7-22-36(32)41-37-23-30-29-18-8-13-26-14-10-21-33(38(26)29)40(34(30)24-35(37)39)31-20-9-12-25-11-4-5-17-28(25)31/h1-24H
InChIKeyRJFLNBXDWZHLKR-UHFFFAOYSA-N
XLogP11.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene with MolForge

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-12-oxa-5,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
CID 163774065
ethane;10-phenylphenoxazine
CID 123756019
N-[4-[4-(8-naphthalen-1-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 118532737
4-bromo-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118532953
8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 135279846
2-isoquinolin-5-yl-10-phenylphenoxazine
CID 122435685
4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline
CID 129134093
N-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 129133956
8,14-dinaphthalen-1-yl-22-phenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849004
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
1-bromo-10-naphthalen-1-ylphenoxazine
CID 135279894
14-[7-(10,21-dioxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)triphenylen-2-yl]-10,21-dioxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21-phenyl-14-[6-(21-phenyl-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)pyren-1-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 161443856

Frequently Asked Questions

What is the IUPAC name of 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene?
The IUPAC name of 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene (CID 160641409) is 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene.
What is the SMILES notation for 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene?
The canonical SMILES for 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene is c1ccc(N2c3ccccc3Oc3cc4c(cc32)N(c2cccc3ccccc23)c2cccc3cccc-4c23)cc1.
What is the InChIKey of 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene?
The InChIKey is RJFLNBXDWZHLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O/c1-2-15-27(16-3-1)39-32-19-6-7-22-36(32)41-37-23-30-29-18-8-13-26-14-10-21-33(38(26)29)40(34(30)24-35(37)39)31-20-9-12-25-11-4-5-17-28(25)31/h1-24H.
What are the key properties of 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene?
16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene has a molecular weight of 524.62 g/mol, XLogP of 11.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene is sourced from PubChem (CID 160641409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).