18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene

C46H27N2+ — CID 164772418

IUPAC18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3c(cc4c2c2cccc5c6ccccc6n4c52)-c2cccc4[n+]2C3c2ccccc2-4)c1
InChIInChI=1S/C46H27N2/c1-2-15-30-27(11-1)12-8-19-31(30)28-13-7-14-29(25-28)42-43-36-21-9-20-34-32-17-5-6-22-38(32)48(45(34)36)41(43)26-37-40-24-10-23-39-33-16-3-4-18-35(33)46(44(37)42)47(39)40/h1-26,46H/q+1
InChIKeyKXGBQAFEEFNOAM-UHFFFAOYSA-N
MW607.74 g/mol
LogP11.21
Rot. Bonds2

About 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene

18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene (PubChem CID 164772418) has the molecular formula C46H27N2+ and a molecular weight of 607.74 g/mol. Its IUPAC name is 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene.

Molecular Properties

Compound Name18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
PubChem CID164772418
Molecular FormulaC46H27N2+
Molecular Weight607.74 g/mol
Exact Mass607.22
IUPAC Name18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3c(cc4c2c2cccc5c6ccccc6n4c52)-c2cccc4[n+]2C3c2ccccc2-4)c1
InChIInChI=1S/C46H27N2/c1-2-15-30-27(11-1)12-8-19-31(30)28-13-7-14-29(25-28)42-43-36-21-9-20-34-32-17-5-6-22-38(32)48(45(34)36)41(43)26-37-40-24-10-23-39-33-16-3-4-18-35(33)46(44(37)42)47(39)40/h1-26,46H/q+1
InChIKeyKXGBQAFEEFNOAM-UHFFFAOYSA-N
XLogP11.21
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.74
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene with MolForge

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Related Compounds

3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162700912
16-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 155312222
2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene
CID 161381817
4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166737588
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166737595
24-(3-phenanthren-9-ylphenyl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
CID 139574671
3-(9,9-dimethylfluoren-2-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 146370145
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene
CID 142290260
13-(9-phenylcarbazol-3-yl)-15-azadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27,29,31(35),32-heptadecaene
CID 169056437
5,33-diphenyl-2,26,30,54-tetrazaheptadecacyclo[28.26.1.12,13.115,19.143,47.03,12.06,11.014,27.020,25.031,40.034,39.041,57.042,55.048,53.026,59.029,60.054,58]hexaconta-1(57),3(12),4,6,8,10,13,15,17,19(59),20,22,24,27,29(60),31(40),32,34,36,38,41,43,45,47(58),48,50,52,55-octacosaene
CID 171595279

Frequently Asked Questions

What is the IUPAC name of 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
The IUPAC name of 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene (CID 164772418) is 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene.
What is the SMILES notation for 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
The canonical SMILES for 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene is c1cc(-c2cccc3ccccc23)cc(-c2c3c(cc4c2c2cccc5c6ccccc6n4c52)-c2cccc4[n+]2C3c2ccccc2-4)c1.
What is the InChIKey of 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
The InChIKey is KXGBQAFEEFNOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N2/c1-2-15-30-27(11-1)12-8-19-31(30)28-13-7-14-29(25-28)42-43-36-21-9-20-34-32-17-5-6-22-38(32)48(45(34)36)41(43)26-37-40-24-10-23-39-33-16-3-4-18-35(33)46(44(37)42)47(39)40/h1-26,46H/q+1.
What are the key properties of 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene has a molecular weight of 607.74 g/mol, XLogP of 11.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(3-naphthalen-1-ylphenyl)-5-aza-31-azonianonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene is sourced from PubChem (CID 164772418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).