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

C44H26N2 — CID 168856526

IUPAC10,22-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
SMILESc1ccc2c(-c3ccc4c5c3c3ccccc3n5c3ccc(-c5cccc6ccccc56)c5c6ccccc6n4c53)cccc2c1
InChIInChI=1S/C44H26N2/c1-3-15-29-27(11-1)13-9-19-31(29)33-23-25-39-43-41(33)35-17-5-7-21-37(35)45(43)40-26-24-34(32-20-10-14-28-12-2-4-16-30(28)32)42-36-18-6-8-22-38(36)46(39)44(40)42/h1-26H
InChIKeyIZBOXUXMXRITQD-UHFFFAOYSA-N
MW582.71 g/mol
LogP11.88
Rot. Bonds2

About 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

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 (PubChem CID 168856526) has the molecular formula C44H26N2 and a molecular weight of 582.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,22-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
PubChem CID168856526
Molecular FormulaC44H26N2
Molecular Weight582.71 g/mol
Exact Mass582.21
IUPAC Name10,22-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
SMILESc1ccc2c(-c3ccc4c5c3c3ccccc3n5c3ccc(-c5cccc6ccccc56)c5c6ccccc6n4c53)cccc2c1
InChIInChI=1S/C44H26N2/c1-3-15-29-27(11-1)13-9-19-31(29)33-23-25-39-43-41(33)35-17-5-7-21-37(35)45(43)40-26-24-34(32-20-10-14-28-12-2-4-16-30(28)32)42-36-18-6-8-22-38(36)46(39)44(40)42/h1-26H
InChIKeyIZBOXUXMXRITQD-UHFFFAOYSA-N
XLogP11.88
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
10,22-bis(2-cyclohexylphenyl)-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 168856521
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
10-(9-butyl-9-propylfluoren-1-yl)-22-(9,9-dipropylfluoren-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 168856573
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
5-iodo-1,4-dinaphthalen-1-ylnaphthalene
CID 145347874
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
CID 163788031

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(-c3ccc4c5c3c3ccccc3n5c3ccc(-c5cccc6ccccc56)c5c6ccccc6n4c53)cccc2c1.
What is the InChIKey of 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?
The InChIKey is IZBOXUXMXRITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2/c1-3-15-29-27(11-1)13-9-19-31(29)33-23-25-39-43-41(33)35-17-5-7-21-37(35)45(43)40-26-24-34(32-20-10-14-28-12-2-4-16-30(28)32)42-36-18-6-8-22-38(36)46(39)44(40)42/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 582.71 g/mol, XLogP of 11.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168856526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).