6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene

C57H38 — CID 58309481

IUPAC6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene
SMILESCC(C)c1cc2c3cc4c5c(-c6ccccc6)ccc(-c6ccccc6)c5c5cccc(c3cc3c6c(-c7ccccc7)ccc(-c7ccccc7)c6c(c1)c23)c54
InChIInChI=1S/C57H38/c1-34(2)39-30-48-47-33-50-52-44(24-15-25-45(52)54-40(35-16-7-3-8-17-35)26-27-42(56(50)54)37-20-11-5-12-21-37)46(47)32-51-53(48)49(31-39)55-41(36-18-9-4-10-19-36)28-29-43(57(51)55)38-22-13-6-14-23-38/h3-34H,1-2H3
InChIKeyRNNHJTDCVCRRRX-UHFFFAOYSA-N
MW722.93 g/mol
LogP16.43
Rot. Bonds5

About 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene

6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene (PubChem CID 58309481) has the molecular formula C57H38 and a molecular weight of 722.93 g/mol. Its IUPAC name is 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene.

Molecular Properties

Compound Name6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene
PubChem CID58309481
Molecular FormulaC57H38
Molecular Weight722.93 g/mol
Exact Mass722.30
IUPAC Name6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene
SMILESCC(C)c1cc2c3cc4c5c(-c6ccccc6)ccc(-c6ccccc6)c5c5cccc(c3cc3c6c(-c7ccccc7)ccc(-c7ccccc7)c6c(c1)c23)c54
InChIInChI=1S/C57H38/c1-34(2)39-30-48-47-33-50-52-44(24-15-25-45(52)54-40(35-16-7-3-8-17-35)26-27-42(56(50)54)37-20-11-5-12-21-37)46(47)32-51-53(48)49(31-39)55-41(36-18-9-4-10-19-36)28-29-43(57(51)55)38-22-13-6-14-23-38/h3-34H,1-2H3
InChIKeyRNNHJTDCVCRRRX-UHFFFAOYSA-N
XLogP16.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.93
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene with MolForge

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Related Compounds

6,9-bis(2,6-dimethylphenyl)-20,23-diphenyloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1,3,5,7,9,11,13,15(30),16,18(29),19,21,23,25,27-pentadecaene
CID 123260082
3,19-bis[3,5-di(propan-2-yl)phenyl]-31-phenyltridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25(45),26(38),27(35),28(44),29(34),30,32,36,39-tricosaene
CID 123503863
7,12,21,27-tetraphenyloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2,4(30),5(10),6,8,11,13,15,17,19(24),20,22,25(29),26-pentadecaene
CID 58569961
6,9,20,23-tetrakis(3,5-ditert-butylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene
CID 58309449
3,10,15,20,23-pentakis-phenyloctacyclo[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
CID 58068216
9,20-bis(4-propan-2-ylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 59805370
6,9-bis(2-methylphenyl)-20,27-diphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;ethane
CID 143896956
3,15-bis[3,5-di(propan-2-yl)phenyl]octacyclo[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),10,12,14,17,19,21,23,25(29),26-pentadecaene
CID 59546769
7,9,21,28-tetraphenylheptacyclo[16.12.0.02,11.03,8.012,17.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 123534242
21-(4-phenylnaphthalen-1-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59629424
14,25-ditert-butylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1(32),2(20),3,5(19),6,8,10(34),11(16),12,14,17,21,23(28),24,26,29(33),30-heptadecaene;8,31-diphenyl-13,26-bis[2,4,6-tri(propan-2-yl)phenyl]nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-diphenyl-8,31-bis[2,4,6-tri(propan-2-yl)phenyl]nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;14,25-diphenylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1(32),2(20),3,5(19),6,8,10(34),11(16),12,14,17,21,23(28),24,26,29(33),30-heptadecaene;14,25-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1(32),2(20),3,5(19),6,8,10(34),11(16),12,14,17,21,23(28),24,26,29(33),30-heptadecaene
CID 158330341
3-phenyl-19-(2-phenylphenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(46),2,4(18),5,7,9,11(50),12,14,16,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene
CID 153474237

Frequently Asked Questions

What is the IUPAC name of 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene?
The IUPAC name of 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene (CID 58309481) is 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene.
What is the SMILES notation for 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene?
The canonical SMILES for 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene is CC(C)c1cc2c3cc4c5c(-c6ccccc6)ccc(-c6ccccc6)c5c5cccc(c3cc3c6c(-c7ccccc7)ccc(-c7ccccc7)c6c(c1)c23)c54.
What is the InChIKey of 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene?
The InChIKey is RNNHJTDCVCRRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38/c1-34(2)39-30-48-47-33-50-52-44(24-15-25-45(52)54-40(35-16-7-3-8-17-35)26-27-42(56(50)54)37-20-11-5-12-21-37)46(47)32-51-53(48)49(31-39)55-41(36-18-9-4-10-19-36)28-29-43(57(51)55)38-22-13-6-14-23-38/h3-34H,1-2H3.
What are the key properties of 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene?
6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene has a molecular weight of 722.93 g/mol, XLogP of 16.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,20,23-tetraphenyl-13-propan-2-yloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene is sourced from PubChem (CID 58309481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).