5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene

C60H34 — CID 123554525

IUPAC5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene
SMILESc1ccc(-c2cc3cc(-c4ccccc4)cc4c5cc6c(-c7ccccc7)c7c8cc9cccc%10ccc%11ccc(c7c(-c7ccccc7)c6cc5c(c2)c34)c8c%11c%109)cc1
InChIInChI=1S/C60H34/c1-5-14-35(15-6-1)42-28-44-29-43(36-16-7-2-8-17-36)32-49-47-34-51-50(33-46(47)48(31-42)54(44)49)55(37-18-9-3-10-19-37)59-45-27-26-40-25-24-39-22-13-23-41-30-52(58(45)57(40)53(39)41)60(59)56(51)38-20-11-4-12-21-38/h1-34H
InChIKeyCRSOEQUYYBERPU-UHFFFAOYSA-N
MW754.93 g/mol
LogP17.05
Rot. Bonds4

About 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene

5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene (PubChem CID 123554525) has the molecular formula C60H34 and a molecular weight of 754.93 g/mol. Its IUPAC name is 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene.

Molecular Properties

Compound Name5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene
PubChem CID123554525
Molecular FormulaC60H34
Molecular Weight754.93 g/mol
Exact Mass754.27
IUPAC Name5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene
SMILESc1ccc(-c2cc3cc(-c4ccccc4)cc4c5cc6c(-c7ccccc7)c7c8cc9cccc%10ccc%11ccc(c7c(-c7ccccc7)c6cc5c(c2)c34)c8c%11c%109)cc1
InChIInChI=1S/C60H34/c1-5-14-35(15-6-1)42-28-44-29-43(36-16-7-2-8-17-36)32-49-47-34-51-50(33-46(47)48(31-42)54(44)49)55(37-18-9-3-10-19-37)59-45-27-26-40-25-24-39-22-13-23-41-30-52(58(45)57(40)53(39)41)60(59)56(51)38-20-11-4-12-21-38/h1-34H
InChIKeyCRSOEQUYYBERPU-UHFFFAOYSA-N
XLogP17.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.93
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene with MolForge

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Related Compounds

3,7,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,11,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;3,15,21-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 159009907
23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene
CID 123209791
3,7,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
CID 58068171
3,21-bis(3,5-dimethylphenyl)-13-phenyldecacyclo[22.10.1.115,19.02,22.04,20.05,18.08,17.011,16.025,30.031,35]hexatriaconta-1(34),2(22),3,5(18),6,8(17),9,11,13,15,19(36),20,23,25,27,29,31(35),32-octadecaene
CID 123940904
3,19-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11(30),12,14,16,19,21,23,25(29),26-pentadecaene
CID 22639653
9,13-ditert-butyl-3,19-diphenylundecacyclo[22.12.2.17,11.125,29.02,20.04,18.06,16.021,37.034,38.015,40.033,39]tetraconta-1(36),2,4(18),5,7,9,11,13,15(40),16,19,21(37),22,24(38),25,27,29(39),30,32,34-icosaene
CID 123915756
10,17,28,35-tetraphenyldodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.011,16.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9,11,13,15,17,19,22,25,27,29,31,33,35,37(41),38-henicosaene
CID 20769968
5,23-diphenyl-12,14-di(propan-2-yl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31(35),32-octadecaene
CID 123588268
2-(3,25-diphenyl-32-decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(35),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33-octadecaenyl)pyridine
CID 89348794
15-phenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5,7,9(30),10,12,15,17,19,21,23,25(29),26-pentadecaene
CID 58068210
4-[4-(10-phenylanthracen-9-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412773
2,8-diphenylperylene
CID 59642615

Frequently Asked Questions

What is the IUPAC name of 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene?
The IUPAC name of 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene (CID 123554525) is 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene.
What is the SMILES notation for 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene?
The canonical SMILES for 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene is c1ccc(-c2cc3cc(-c4ccccc4)cc4c5cc6c(-c7ccccc7)c7c8cc9cccc%10ccc%11ccc(c7c(-c7ccccc7)c6cc5c(c2)c34)c8c%11c%109)cc1.
What is the InChIKey of 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene?
The InChIKey is CRSOEQUYYBERPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34/c1-5-14-35(15-6-1)42-28-44-29-43(36-16-7-2-8-17-36)32-49-47-34-51-50(33-46(47)48(31-42)54(44)49)55(37-18-9-3-10-19-37)59-45-27-26-40-25-24-39-22-13-23-41-30-52(58(45)57(40)53(39)41)60(59)56(51)38-20-11-4-12-21-38/h1-34H.
What are the key properties of 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene?
5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene has a molecular weight of 754.93 g/mol, XLogP of 17.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,23,29,33-tetraphenyldecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2,4(24),5,7(36),8(21),9(18),10(15),11,13,16,19,22,25,27(35),28,30,32-octadecaene is sourced from PubChem (CID 123554525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).