11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine)

C200H241N15 — CID 163824653

IUPAC11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine)
SMILESC1=CC2=CC=C3c4ccccc4CC3C2C=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1nc(C)nc(CC)n1.CCc1nc(C)nc(CC)n1.CCc1nc(C)nc(CC)n1.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1
InChIInChI=1S/C17H14.4C17H12.3C13H10.C10H8.2C9H15N3.3C8H13N3.12C2H6/c5*1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16;3*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-4-7-10-8(5-2)12-9(6-3)11-7;3*1-4-7-9-6(3)10-8(5-2)11-7;12*1-2/h1-10,14,17H,11H2;4*1-10H,11H2;3*1-8H,9H2;1-8H;2*4-6H2,1-3H3;3*4-5H2,1-3H3;12*1-2H3
InChIKeyNYKIFIQMSNTHRT-UHFFFAOYSA-N
MW2855.23 g/mol
LogP53.53
Rot. Bonds12

About 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine)

11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine) (PubChem CID 163824653) has the molecular formula C200H241N15 and a molecular weight of 2855.23 g/mol. Its IUPAC name is 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine).

Molecular Properties

Compound Name11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine)
PubChem CID163824653
Molecular FormulaC200H241N15
Molecular Weight2855.23 g/mol
Exact Mass2852.93
IUPAC Name11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine)
SMILESC1=CC2=CC=C3c4ccccc4CC3C2C=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1nc(C)nc(CC)n1.CCc1nc(C)nc(CC)n1.CCc1nc(C)nc(CC)n1.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1
InChIInChI=1S/C17H14.4C17H12.3C13H10.C10H8.2C9H15N3.3C8H13N3.12C2H6/c5*1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16;3*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-4-7-10-8(5-2)12-9(6-3)11-7;3*1-4-7-9-6(3)10-8(5-2)11-7;12*1-2/h1-10,14,17H,11H2;4*1-10H,11H2;3*1-8H,9H2;1-8H;2*4-6H2,1-3H3;3*4-5H2,1-3H3;12*1-2H3
InChIKeyNYKIFIQMSNTHRT-UHFFFAOYSA-N
XLogP53.53
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002855.23
LogP ≤ 553.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine)?
The IUPAC name of 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine) (CID 163824653) is 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine).
What is the SMILES notation for 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine)?
The canonical SMILES for 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine) is C1=CC2=CC=C3c4ccccc4CC3C2C=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1nc(C)nc(CC)n1.CCc1nc(C)nc(CC)n1.CCc1nc(C)nc(CC)n1.CCc1nc(CC)nc(CC)n1.CCc1nc(CC)nc(CC)n1.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1c-2ccc2ccccc12.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.
What is the InChIKey of 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine)?
The InChIKey is NYKIFIQMSNTHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14.4C17H12.3C13H10.C10H8.2C9H15N3.3C8H13N3.12C2H6/c5*1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16;3*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-4-7-10-8(5-2)12-9(6-3)11-7;3*1-4-7-9-6(3)10-8(5-2)11-7;12*1-2/h1-10,14,17H,11H2;4*1-10H,11H2;3*1-8H,9H2;1-8H;2*4-6H2,1-3H3;3*4-5H2,1-3H3;12*1-2H3.
What are the key properties of 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine)?
11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine) has a molecular weight of 2855.23 g/mol, XLogP of 53.53, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 11a,11b-dihydro-11H-benzo[a]fluorene;tetrakis(11H-benzo[a]fluorene);tris(2,4-diethyl-6-methyl-1,3,5-triazine);ethane;tris(9H-fluorene);naphthalene;bis(2,4,6-triethyl-1,3,5-triazine) is sourced from PubChem (CID 163824653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).