15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene

C34H19N — CID 146180298

IUPAC15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene
SMILESc1ccc2c(-c3cc4c5ccccc5n5c6cccc7c8ccccc8c3c(c76)c45)cccc2c1
InChIInChI=1S/C34H19N/c1-2-11-21-20(9-1)10-7-15-22(21)27-19-28-24-13-5-6-17-29(24)35-30-18-8-16-26-23-12-3-4-14-25(23)31(27)33(32(26)30)34(28)35/h1-19H
InChIKeyCQKDWEVFADQZSV-UHFFFAOYSA-N
MW441.53 g/mol
LogP9.40
Rot. Bonds1

About 15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene

15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 146180298) has the molecular formula C34H19N and a molecular weight of 441.53 g/mol. Its IUPAC name is 15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene
PubChem CID146180298
Molecular FormulaC34H19N
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene
SMILESc1ccc2c(-c3cc4c5ccccc5n5c6cccc7c8ccccc8c3c(c76)c45)cccc2c1
InChIInChI=1S/C34H19N/c1-2-11-21-20(9-1)10-7-15-22(21)27-19-28-24-13-5-6-17-29(24)35-30-18-8-16-26-23-12-3-4-14-25(23)31(27)33(32(26)30)34(28)35/h1-19H
InChIKeyCQKDWEVFADQZSV-UHFFFAOYSA-N
XLogP9.40
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10,22-dinaphthalen-1-yl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene
CID 168856526
28-methyl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
CID 138752081
1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;ethane
CID 167576917
23-(2-naphthalen-1-ylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 130259632
18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene
CID 164839267
11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene
CID 170211061
19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene
CID 138507041
9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
9-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130260221
26-naphthalen-2-yl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 170658672
7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene
CID 138506886
20-phenyl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),18(23),19,21-dodecaene
CID 146180263

Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene?
The IUPAC name of 15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene (CID 146180298) is 15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for 15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene is c1ccc2c(-c3cc4c5ccccc5n5c6cccc7c8ccccc8c3c(c76)c45)cccc2c1.
What is the InChIKey of 15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene?
The InChIKey is CQKDWEVFADQZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N/c1-2-11-21-20(9-1)10-7-15-22(21)27-19-28-24-13-5-6-17-29(24)35-30-18-8-16-26-23-12-3-4-14-25(23)31(27)33(32(26)30)34(28)35/h1-19H.
What are the key properties of 15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene?
15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 441.53 g/mol, XLogP of 9.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 146180298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).