2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene

C61H49N5 — CID 144729781

IUPAC2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
SMILESCC1C=CC=CC1N1c2cccc(c2)N(c2ccccc2)c2cccc(c2)N(c2ccccc2)c2cccc(c2)N(c2ccccc2)c2cccc(c2)N(c2ccccc2)c2cccc1c2
InChIInChI=1S/C61H49N5/c1-46-21-14-15-40-61(46)66-59-38-19-36-57(44-59)64(49-26-10-4-11-27-49)55-34-17-32-53(42-55)62(47-22-6-2-7-23-47)51-30-16-31-52(41-51)63(48-24-8-3-9-25-48)54-33-18-35-56(43-54)65(50-28-12-5-13-29-50)58-37-20-39-60(66)45-58/h2-46,61H,1H3
InChIKeyAZKSDDUUSTWLTM-UHFFFAOYSA-N
MW852.10 g/mol
LogP17.15
Rot. Bonds5

About 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene

2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene (PubChem CID 144729781) has the molecular formula C61H49N5 and a molecular weight of 852.10 g/mol. Its IUPAC name is 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene.

Molecular Properties

Compound Name2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
PubChem CID144729781
Molecular FormulaC61H49N5
Molecular Weight852.10 g/mol
Exact Mass851.40
IUPAC Name2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
SMILESCC1C=CC=CC1N1c2cccc(c2)N(c2ccccc2)c2cccc(c2)N(c2ccccc2)c2cccc(c2)N(c2ccccc2)c2cccc(c2)N(c2ccccc2)c2cccc1c2
InChIInChI=1S/C61H49N5/c1-46-21-14-15-40-61(46)66-59-38-19-36-57(44-59)64(49-26-10-4-11-27-49)55-34-17-32-53(42-55)62(47-22-6-2-7-23-47)51-30-16-31-52(41-51)63(48-24-8-3-9-25-48)54-33-18-35-56(43-54)65(50-28-12-5-13-29-50)58-37-20-39-60(66)45-58/h2-46,61H,1H3
InChIKeyAZKSDDUUSTWLTM-UHFFFAOYSA-N
XLogP17.15
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.10
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene with MolForge

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Related Compounds

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9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine
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2-(2,6-diphenyl-4-pyridinyl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 123806675
16-methyl-2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosa-1(19),3,5,7(21),9(20),10,12,17-octaene
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6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole
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2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 123621880
(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane
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CID 147353597

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene?
The IUPAC name of 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene (CID 144729781) is 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene.
What is the SMILES notation for 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene?
The canonical SMILES for 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene is CC1C=CC=CC1N1c2cccc(c2)N(c2ccccc2)c2cccc(c2)N(c2ccccc2)c2cccc(c2)N(c2ccccc2)c2cccc(c2)N(c2ccccc2)c2cccc1c2.
What is the InChIKey of 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene?
The InChIKey is AZKSDDUUSTWLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49N5/c1-46-21-14-15-40-61(46)66-59-38-19-36-57(44-59)64(49-26-10-4-11-27-49)55-34-17-32-53(42-55)62(47-22-6-2-7-23-47)51-30-16-31-52(41-51)63(48-24-8-3-9-25-48)54-33-18-35-56(43-54)65(50-28-12-5-13-29-50)58-37-20-39-60(66)45-58/h2-46,61H,1H3.
What are the key properties of 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene?
2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene has a molecular weight of 852.10 g/mol, XLogP of 17.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene is sourced from PubChem (CID 144729781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).