9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C42H26N2 — CID 170244542

IUPAC9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESc1ccc2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7ccccc7c6)c5c5ccccc5c43)ccc2c1
InChIInChI=1S/C42H26N2/c1-3-13-29-25-31(23-21-27(29)11-1)43-37-19-9-7-17-35(37)39-40-36-18-8-10-20-38(36)44(32-24-22-28-12-2-4-14-30(28)26-32)42(40)34-16-6-5-15-33(34)41(39)43/h1-26H
InChIKeyWCMLZRUCVGPKMR-UHFFFAOYSA-N
MW558.68 g/mol
LogP11.34
Rot. Bonds2

About 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 170244542) has the molecular formula C42H26N2 and a molecular weight of 558.68 g/mol. Its IUPAC name is 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
PubChem CID170244542
Molecular FormulaC42H26N2
Molecular Weight558.68 g/mol
Exact Mass558.21
IUPAC Name9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESc1ccc2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7ccccc7c6)c5c5ccccc5c43)ccc2c1
InChIInChI=1S/C42H26N2/c1-3-13-29-25-31(23-21-27(29)11-1)43-37-19-9-7-17-35(37)39-40-36-18-8-10-20-38(36)44(32-24-22-28-12-2-4-14-30(28)26-32)42(40)34-16-6-5-15-33(34)41(39)43/h1-26H
InChIKeyWCMLZRUCVGPKMR-UHFFFAOYSA-N
XLogP11.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

9,25-dinaphthalen-1-yl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene;9,25-dinaphthalen-2-yl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
CID 160857402
9-naphthalen-2-yl-19-thia-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737970
9-naphthalen-2-yl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159589030
12-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 158507542
5-naphthalen-2-yl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 142481966
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N,N-diphenylnaphthalen-2-amine
CID 145273348
12-dibenzofuran-2-yl-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167030159
5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole
CID 159391615
N-[4-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145273395
5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 134168814
5-naphthalen-2-yl-12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240395
9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 174364453

Frequently Asked Questions

What is the IUPAC name of 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The IUPAC name of 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 170244542) is 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The canonical SMILES for 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is c1ccc2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7ccccc7c6)c5c5ccccc5c43)ccc2c1.
What is the InChIKey of 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The InChIKey is WCMLZRUCVGPKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2/c1-3-13-29-25-31(23-21-27(29)11-1)43-37-19-9-7-17-35(37)39-40-36-18-8-10-20-38(36)44(32-24-22-28-12-2-4-14-30(28)26-32)42(40)34-16-6-5-15-33(34)41(39)43/h1-26H.
What are the key properties of 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 558.68 g/mol, XLogP of 11.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 170244542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).