3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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

C50H32 — CID 168812662

IUPAC3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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
SMILESCc1ccccc1-c1c2cc3c4ccccc4c4cccc(c2c(-c2ccccc2C)c2c5ccc(-c6ccccc6)c6cccc(c12)c65)c43
InChIInChI=1S/C50H32/c1-29-14-6-8-18-32(29)46-43-28-42-36-21-11-10-20-35(36)38-23-13-24-39(45(38)42)47(43)48(33-19-9-7-15-30(33)2)50-41-27-26-34(31-16-4-3-5-17-31)37-22-12-25-40(44(37)41)49(46)50/h3-28H,1-2H3
InChIKeyIAGZGEOEQMIQKT-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.25
Rot. Bonds3

About 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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

3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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 (PubChem CID 168812662) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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.

Molecular Properties

Compound Name3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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
PubChem CID168812662
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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
SMILESCc1ccccc1-c1c2cc3c4ccccc4c4cccc(c2c(-c2ccccc2C)c2c5ccc(-c6ccccc6)c6cccc(c12)c65)c43
InChIInChI=1S/C50H32/c1-29-14-6-8-18-32(29)46-43-28-42-36-21-11-10-20-35(36)38-23-13-24-39(45(38)42)47(43)48(33-19-9-7-15-30(33)2)50-41-27-26-34(31-16-4-3-5-17-31)37-22-12-25-40(44(37)41)49(46)50/h3-28H,1-2H3
InChIKeyIAGZGEOEQMIQKT-UHFFFAOYSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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 with MolForge

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Related Compounds

10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068175
8-(2,6-dimethylphenyl)-21,22-dimethyl-3-phenyl-15-(2-phenylphenyl)octacyclo[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(24),20,22,25(29),26-pentadecaene
CID 58068102
8-(3,5-diphenylphenyl)-3-phenyl-15-(2-phenylphenyl)octacyclo[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 58068343
10-(3,5-diphenylphenyl)-3-phenyl-15-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 176760214
10-[6-(2,6-dimethylphenyl)naphthalen-2-yl]-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 164944426
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
6,13,16-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaene
CID 123300360
10-(2,6-dimethylfluoranthen-3-yl)-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 58068182
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
9,27-diphenyl-14,34-bis(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26,28,30(38),31,33,35-icosaene
CID 59342642
3-(3,15-diphenyl-8-octacyclo[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-pentadecaenyl)phenol
CID 89257518
6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene
CID 147672921

Frequently Asked Questions

What is the IUPAC name of 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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?
The IUPAC name of 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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 168812662) is 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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.
What is the SMILES notation for 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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?
The canonical SMILES for 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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 is Cc1ccccc1-c1c2cc3c4ccccc4c4cccc(c2c(-c2ccccc2C)c2c5ccc(-c6ccccc6)c6cccc(c12)c65)c43.
What is the InChIKey of 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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?
The InChIKey is IAGZGEOEQMIQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-29-14-6-8-18-32(29)46-43-28-42-36-21-11-10-20-35(36)38-23-13-24-39(45(38)42)47(43)48(33-19-9-7-15-30(33)2)50-41-27-26-34(31-16-4-3-5-17-31)37-22-12-25-40(44(37)41)49(46)50/h3-28H,1-2H3.
What are the key properties of 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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?
3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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 has a molecular weight of 632.81 g/mol, XLogP of 14.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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 is sourced from PubChem (CID 168812662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).