7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene

C80H48 — CID 58947117

IUPAC7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene
SMILESc1ccc(-c2cccc(-c3cc4c5c(ccc6c7c(-c8cccc(-c9ccccc9)c8)cc8c9c(ccc(c3c56)c97)-c3c(-c5ccccc5)ccc(-c5ccccc5)c3-8)-c3c(-c5ccccc5)ccc(-c5ccccc5)c3-4)c2)cc1
InChIInChI=1S/C80H48/c1-7-21-49(22-8-1)55-33-19-35-57(45-55)67-47-69-73-61(53-29-15-5-16-30-53)39-37-59(51-25-11-3-12-26-51)71(73)63-42-44-66-76-68(58-36-20-34-56(46-58)50-23-9-2-10-24-50)48-70-74-62(54-31-17-6-18-32-54)40-38-60(52-27-13-4-14-28-52)72(74)64-41-43-65(80(76)78(64)70)75(67)79(66)77(63)69/h1-48H
InChIKeyNOGGKIRAUIJNNS-UHFFFAOYSA-N
MW1009.26 g/mol
LogP22.37
Rot. Bonds8

About 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene

7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene (PubChem CID 58947117) has the molecular formula C80H48 and a molecular weight of 1009.26 g/mol. Its IUPAC name is 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene.

Molecular Properties

Compound Name7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene
PubChem CID58947117
Molecular FormulaC80H48
Molecular Weight1009.26 g/mol
Exact Mass1008.38
IUPAC Name7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene
SMILESc1ccc(-c2cccc(-c3cc4c5c(ccc6c7c(-c8cccc(-c9ccccc9)c8)cc8c9c(ccc(c3c56)c97)-c3c(-c5ccccc5)ccc(-c5ccccc5)c3-8)-c3c(-c5ccccc5)ccc(-c5ccccc5)c3-4)c2)cc1
InChIInChI=1S/C80H48/c1-7-21-49(22-8-1)55-33-19-35-57(45-55)67-47-69-73-61(53-29-15-5-16-30-53)39-37-59(51-25-11-3-12-26-51)71(73)63-42-44-66-76-68(58-36-20-34-56(46-58)50-23-9-2-10-24-50)48-70-74-62(54-31-17-6-18-32-54)40-38-60(52-27-13-4-14-28-52)72(74)64-41-43-65(80(76)78(64)70)75(67)79(66)77(63)69/h1-48H
InChIKeyNOGGKIRAUIJNNS-UHFFFAOYSA-N
XLogP22.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.26
LogP ≤ 522.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene with MolForge

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Related Compounds

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20-(3-naphthalen-2-ylphenyl)-17-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 166019815
3,6,10,17,20,24-hexakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene
CID 140722752
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CID 144837443
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CID 123758696
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene
CID 164940190
3,10-dibromo-6-(2,5-diphenylphenyl)-1-phenylperylene
CID 164940170
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8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene
CID 59642845
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Frequently Asked Questions

What is the IUPAC name of 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene?
The IUPAC name of 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene (CID 58947117) is 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene.
What is the SMILES notation for 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene?
The canonical SMILES for 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene is c1ccc(-c2cccc(-c3cc4c5c(ccc6c7c(-c8cccc(-c9ccccc9)c8)cc8c9c(ccc(c3c56)c97)-c3c(-c5ccccc5)ccc(-c5ccccc5)c3-8)-c3c(-c5ccccc5)ccc(-c5ccccc5)c3-4)c2)cc1.
What is the InChIKey of 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene?
The InChIKey is NOGGKIRAUIJNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H48/c1-7-21-49(22-8-1)55-33-19-35-57(45-55)67-47-69-73-61(53-29-15-5-16-30-53)39-37-59(51-25-11-3-12-26-51)71(73)63-42-44-66-76-68(58-36-20-34-56(46-58)50-23-9-2-10-24-50)48-70-74-62(54-31-17-6-18-32-54)40-38-60(52-27-13-4-14-28-52)72(74)64-41-43-65(80(76)78(64)70)75(67)79(66)77(63)69/h1-48H.
What are the key properties of 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene?
7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene has a molecular weight of 1009.26 g/mol, XLogP of 22.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene is sourced from PubChem (CID 58947117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).