3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene

C64H38 — CID 122235051

IUPAC3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene
SMILESC1=CC2=CC=C3C4=C(C=CC(=C1)C24)c1c3c(-c2ccccc2)c2cc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3cc2c1-c1ccccc1)C1=C2C4=CC=C3C=CC=C(C=C1)C32
InChIInChI=1S/C64H38/c1-5-15-37(16-6-1)55-49-35-51-52(36-50(49)56(38-17-7-2-8-18-38)62-46-32-28-42-24-13-23-41-27-31-45(61(55)62)59(46)53(41)42)58(40-21-11-4-12-22-40)64-48-34-30-44-26-14-25-43-29-33-47(60(48)54(43)44)63(64)57(51)39-19-9-3-10-20-39/h1-36,53-54H
InChIKeyFLIYPZNEARUPEY-UHFFFAOYSA-N
MW807.01 g/mol
LogP16.21
Rot. Bonds4

About 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene

3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene (PubChem CID 122235051) has the molecular formula C64H38 and a molecular weight of 807.01 g/mol. Its IUPAC name is 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene.

Molecular Properties

Compound Name3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene
PubChem CID122235051
Molecular FormulaC64H38
Molecular Weight807.01 g/mol
Exact Mass806.30
IUPAC Name3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene
SMILESC1=CC2=CC=C3C4=C(C=CC(=C1)C24)c1c3c(-c2ccccc2)c2cc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3cc2c1-c1ccccc1)C1=C2C4=CC=C3C=CC=C(C=C1)C32
InChIInChI=1S/C64H38/c1-5-15-37(16-6-1)55-49-35-51-52(36-50(49)56(38-17-7-2-8-18-38)62-46-32-28-42-24-13-23-41-27-31-45(61(55)62)59(46)53(41)42)58(40-21-11-4-12-22-40)64-48-34-30-44-26-14-25-43-29-33-47(60(48)54(43)44)63(64)57(51)39-19-9-3-10-20-39/h1-36,53-54H
InChIKeyFLIYPZNEARUPEY-UHFFFAOYSA-N
XLogP16.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-9bH-phenalene
CID 58645169
N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-8-amine
CID 152773378
7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene
CID 14023518
cyclobutadienylbenzene
CID 86042442
3-bromo-1,10c-dihydropyrene
CID 73357563
4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane
CID 123296950
7,11,12,13,14,18,29,33,34,35,36,40,51,55,56,57,58,62-octadecakis-phenylnonadecacyclo[44.20.4.42,23.424,45.06,19.08,17.010,15.028,41.030,39.032,37.049,69.050,63.052,61.054,59.064,68.05,77.020,76.027,73.042,72]octaheptaconta-1(67),2(78),3,5(77),6,8,10(15),11,13,16,18,20(76),21,23(75),24(74),25,27(73),28,30,32(37),33,35,38,40,42(72),43,45(71),46(70),47,49(69),50,52,54(59),55,57,60,62,64(68),65-nonatriacontaene
CID 175687169
[4-[10-[4-[dimethyl-(6-phenyl-4,10c-dihydropyren-1-yl)silyl]phenyl]anthracen-9-yl]phenyl]-dimethyl-(6-phenyl-4,10c-dihydropyren-1-yl)silane
CID 123803686
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
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
3,6,7,10,17,20,21,24-octakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 140722746
trimethyl-(5,6,7,8-tetraphenyl-3-trimethylsilylnaphthalen-2-yl)silane
CID 86091759

Frequently Asked Questions

What is the IUPAC name of 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene?
The IUPAC name of 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene (CID 122235051) is 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene.
What is the SMILES notation for 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene?
The canonical SMILES for 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene is C1=CC2=CC=C3C4=C(C=CC(=C1)C24)c1c3c(-c2ccccc2)c2cc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3cc2c1-c1ccccc1)C1=C2C4=CC=C3C=CC=C(C=C1)C32.
What is the InChIKey of 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene?
The InChIKey is FLIYPZNEARUPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38/c1-5-15-37(16-6-1)55-49-35-51-52(36-50(49)56(38-17-7-2-8-18-38)62-46-32-28-42-24-13-23-41-27-31-45(61(55)62)59(46)53(41)42)58(40-21-11-4-12-22-40)64-48-34-30-44-26-14-25-43-29-33-47(60(48)54(43)44)63(64)57(51)39-19-9-3-10-20-39/h1-36,53-54H.
What are the key properties of 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene?
3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene has a molecular weight of 807.01 g/mol, XLogP of 16.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene is sourced from PubChem (CID 122235051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).