27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene

C51H32 — CID 155635505

IUPAC27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene
SMILESCC1(C)c2ccccc2-c2cc3c4c(-c5ccccc5)c5c(cc6c7ccccc7c7cccc5c76)c(-c5ccccc5)c4c4cccc(c21)c43
InChIInChI=1S/C51H32/c1-51(2)42-26-12-11-21-33(42)39-28-41-46-36(24-14-25-37(46)50(39)51)48-43(29-15-5-3-6-16-29)40-27-38-32-20-10-9-19-31(32)34-22-13-23-35(45(34)38)47(40)44(49(41)48)30-17-7-4-8-18-30/h3-28H,1-2H3
InChIKeyNPVMUAGOXXSIHV-UHFFFAOYSA-N
MW644.82 g/mol
LogP14.27
Rot. Bonds2

About 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene

27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene (PubChem CID 155635505) has the molecular formula C51H32 and a molecular weight of 644.82 g/mol. Its IUPAC name is 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene.

Molecular Properties

Compound Name27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene
PubChem CID155635505
Molecular FormulaC51H32
Molecular Weight644.82 g/mol
Exact Mass644.25
IUPAC Name27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene
SMILESCC1(C)c2ccccc2-c2cc3c4c(-c5ccccc5)c5c(cc6c7ccccc7c7cccc5c76)c(-c5ccccc5)c4c4cccc(c21)c43
InChIInChI=1S/C51H32/c1-51(2)42-26-12-11-21-33(42)39-28-41-46-36(24-14-25-37(46)50(39)51)48-43(29-15-5-3-6-16-29)40-27-38-32-20-10-9-19-31(32)34-22-13-23-35(45(34)38)47(40)44(49(41)48)30-17-7-4-8-18-30/h3-28H,1-2H3
InChIKeyNPVMUAGOXXSIHV-UHFFFAOYSA-N
XLogP14.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.82
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene with MolForge

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Related Compounds

3,19-bis(4-phenylphenyl)tridecacyclo[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),25,27,29,31,33,35,37,39,44-tricosaene
CID 159461885
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
3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene
CID 123989486
3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene
CID 155635480
3,19,29-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10,12,14,16,19,21,23,25,27,29,31-heptadecaene
CID 123525699
3,19,28-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10,12,14,16,19,21,23,25,27,29,31-heptadecaene
CID 123320260
5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
CID 58142415
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
3,19-diphenyl-33-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.027,32.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23,25(36),26(34),27,29,31-octadecaene
CID 137383590
8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene
CID 140792291
10-[2,6-bis(trideuteriomethyl)phenyl]-3,15-diphenyloctacyclo[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 176846455
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

Frequently Asked Questions

What is the IUPAC name of 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene?
The IUPAC name of 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene (CID 155635505) is 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene.
What is the SMILES notation for 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene?
The canonical SMILES for 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene is CC1(C)c2ccccc2-c2cc3c4c(-c5ccccc5)c5c(cc6c7ccccc7c7cccc5c76)c(-c5ccccc5)c4c4cccc(c21)c43.
What is the InChIKey of 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene?
The InChIKey is NPVMUAGOXXSIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32/c1-51(2)42-26-12-11-21-33(42)39-28-41-46-36(24-14-25-37(46)50(39)51)48-43(29-15-5-3-6-16-29)40-27-38-32-20-10-9-19-31(32)34-22-13-23-35(45(34)38)47(40)44(49(41)48)30-17-7-4-8-18-30/h3-28H,1-2H3.
What are the key properties of 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene?
27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene has a molecular weight of 644.82 g/mol, XLogP of 14.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 27,27-dimethyl-3,19-diphenyldecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28,30,32-octadecaene is sourced from PubChem (CID 155635505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).