11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene

C56H42N2 — CID 171745660

IUPAC11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene
SMILESCC(C)(C)c1ccc2cc(-c3c4ccccc4c4nc5ccc6c(-c7ccc8cc(C(C)(C)C)ccc8c7)c7ccccc7c7nc8ccc3c4c8c5c67)ccc2c1
InChIInChI=1S/C56H42N2/c1-55(2,3)37-21-19-31-27-35(17-15-33(31)29-37)47-39-11-7-9-13-41(39)53-49-43(47)23-25-45-51(49)52-46(57-53)26-24-44-48(40-12-8-10-14-42(40)54(58-45)50(44)52)36-18-16-34-30-38(56(4,5)6)22-20-32(34)28-36/h7-30H,1-6H3
InChIKeySGVIKVYHSILVST-UHFFFAOYSA-N
MW742.97 g/mol
LogP15.66
Rot. Bonds2

About 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene

11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene (PubChem CID 171745660) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene.

Molecular Properties

Compound Name11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene
PubChem CID171745660
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC Name11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene
SMILESCC(C)(C)c1ccc2cc(-c3c4ccccc4c4nc5ccc6c(-c7ccc8cc(C(C)(C)C)ccc8c7)c7ccccc7c7nc8ccc3c4c8c5c67)ccc2c1
InChIInChI=1S/C56H42N2/c1-55(2,3)37-21-19-31-27-35(17-15-33(31)29-37)47-39-11-7-9-13-41(39)53-49-43(47)23-25-45-51(49)52-46(57-53)26-24-44-48(40-12-8-10-14-42(40)54(58-45)50(44)52)36-18-16-34-30-38(56(4,5)6)22-20-32(34)28-36/h7-30H,1-6H3
InChIKeySGVIKVYHSILVST-UHFFFAOYSA-N
XLogP15.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene with MolForge

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Related Compounds

7-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 58453918
7-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene;18-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene;7-tert-butyl-3,10-dinaphthalen-2-yl-18-phenylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15(20),16,18,21-undecaene
CID 157104770
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
9-[10-(4-tert-butylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 166831987
6-[4-(6-tert-butyl-9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]benzo[f]quinoline
CID 58323830
4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
CID 88554710
6-[2-tert-butyl-10-(4-phenyl-2-pyren-1-ylquinolin-6-yl)anthracen-9-yl]-4-phenyl-2-pyren-1-ylquinoline
CID 141395548
2-tert-butyl-9-naphthalen-2-yl-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965769
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
6-tert-butyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 129086390
5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene;2-tert-butyl-5,6,11,12-tetrakis(4-tert-butylphenyl)-8-methyltetracene;6-methyl-2-[4-[12-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6,11-diphenyltetracen-5-yl]phenyl]-1,3-benzothiazole;5,6,11,12-tetranaphthalen-2-yltetracene;5,6,11,12-tetraphenyltetracene
CID 160700143

Frequently Asked Questions

What is the IUPAC name of 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene?
The IUPAC name of 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene (CID 171745660) is 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene.
What is the SMILES notation for 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene?
The canonical SMILES for 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene is CC(C)(C)c1ccc2cc(-c3c4ccccc4c4nc5ccc6c(-c7ccc8cc(C(C)(C)C)ccc8c7)c7ccccc7c7nc8ccc3c4c8c5c67)ccc2c1.
What is the InChIKey of 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene?
The InChIKey is SGVIKVYHSILVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-55(2,3)37-21-19-31-27-35(17-15-33(31)29-37)47-39-11-7-9-13-41(39)53-49-43(47)23-25-45-51(49)52-46(57-53)26-24-44-48(40-12-8-10-14-42(40)54(58-45)50(44)52)36-18-16-34-30-38(56(4,5)6)22-20-32(34)28-36/h7-30H,1-6H3.
What are the key properties of 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene?
11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene has a molecular weight of 742.97 g/mol, XLogP of 15.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,24-bis(6-tert-butylnaphthalen-2-yl)-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(29),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28(30)-pentadecaene is sourced from PubChem (CID 171745660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).