6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene

C37H32 — CID 159714692

IUPAC6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene
SMILESCc1cc2cc3c(cc2cc1CCCc1cc2cc4c(cc2cc1C)C1=C(C=CC1)C4)CC1=C3CC=C1
InChIInChI=1S/C37H32/c1-22-12-28-20-36-32(16-26-8-4-10-34(26)36)18-30(28)14-24(22)6-3-7-25-15-31-19-33-17-27-9-5-11-35(27)37(33)21-29(31)13-23(25)2/h4-5,8-9,12-15,18-21H,3,6-7,10-11,16-17H2,1-2H3
InChIKeyQYXQWWKKNYFENT-UHFFFAOYSA-N
MW476.66 g/mol
LogP9.32
Rot. Bonds4

About 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene

6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene (PubChem CID 159714692) has the molecular formula C37H32 and a molecular weight of 476.66 g/mol. Its IUPAC name is 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene.

Molecular Properties

Compound Name6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene
PubChem CID159714692
Molecular FormulaC37H32
Molecular Weight476.66 g/mol
Exact Mass476.25
IUPAC Name6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene
SMILESCc1cc2cc3c(cc2cc1CCCc1cc2cc4c(cc2cc1C)C1=C(C=CC1)C4)CC1=C3CC=C1
InChIInChI=1S/C37H32/c1-22-12-28-20-36-32(16-26-8-4-10-34(26)36)18-30(28)14-24(22)6-3-7-25-15-31-19-33-17-27-9-5-11-35(27)37(33)21-29(31)13-23(25)2/h4-5,8-9,12-15,18-21H,3,6-7,10-11,16-17H2,1-2H3
InChIKeyQYXQWWKKNYFENT-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene with MolForge

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Related Compounds

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2,3,8,9-tetrabutyltetracene
CID 102053257
decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene
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CID 159780019

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene?
The IUPAC name of 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene (CID 159714692) is 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene.
What is the SMILES notation for 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene?
The canonical SMILES for 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene is Cc1cc2cc3c(cc2cc1CCCc1cc2cc4c(cc2cc1C)C1=C(C=CC1)C4)CC1=C3CC=C1.
What is the InChIKey of 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene?
The InChIKey is QYXQWWKKNYFENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32/c1-22-12-28-20-36-32(16-26-8-4-10-34(26)36)18-30(28)14-24(22)6-3-7-25-15-31-19-33-17-27-9-5-11-35(27)37(33)21-29(31)13-23(25)2/h4-5,8-9,12-15,18-21H,3,6-7,10-11,16-17H2,1-2H3.
What are the key properties of 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene?
6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene has a molecular weight of 476.66 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene is sourced from PubChem (CID 159714692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).