tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])

C236H356 — CID 161230311

IUPACtris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/2C25H16.3C20H14.3C14H10.42C2H6/c2*1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;3*1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;3*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;42*1-2/h2*1-16H;3*1-8,11-12H,9-10H2;3*1-10H;42*1-2H3
InChIKeyUYQXDPNTGGTKGR-UHFFFAOYSA-N
MW3193.44 g/mol
LogP81.63
Rot. Bonds

About tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])

tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene]) (PubChem CID 161230311) has the molecular formula C236H356 and a molecular weight of 3193.44 g/mol. Its IUPAC name is tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene]).

Molecular Properties

Compound Nametris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
PubChem CID161230311
Molecular FormulaC236H356
Molecular Weight3193.44 g/mol
Exact Mass3190.79
IUPAC Nametris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/2C25H16.3C20H14.3C14H10.42C2H6/c2*1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;3*1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;3*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;42*1-2/h2*1-16H;3*1-8,11-12H,9-10H2;3*1-10H;42*1-2H3
InChIKeyUYQXDPNTGGTKGR-UHFFFAOYSA-N
XLogP81.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms236
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003193.44
LogP ≤ 581.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(6,12-dihydroindeno[1,2-b]fluorene);ethane;bis(9H-fluorene);phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161124439
benzene;carbanide;tris(11,12-dihydroindeno[2,1-a]fluorene);1,2-diphenylbenzene;ethane;1-naphthalen-1-ylnaphthalene;spiro[6H-indeno[1,2-b]fluorene-12,9'-fluorene];yttrium
CID 158765105
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]
CID 158056839
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158052196
anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene
CID 157234575
ethane;hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene
CID 160763232
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158727165
hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 163701410

Frequently Asked Questions

What is the IUPAC name of tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])?
The IUPAC name of tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene]) (CID 161230311) is tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene]).
What is the SMILES notation for tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])?
The canonical SMILES for tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene]) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])?
The InChIKey is UYQXDPNTGGTKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H16.3C20H14.3C14H10.42C2H6/c2*1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;3*1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;3*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;42*1-2/h2*1-16H;3*1-8,11-12H,9-10H2;3*1-10H;42*1-2H3.
What are the key properties of tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])?
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene]) has a molecular weight of 3193.44 g/mol, XLogP of 81.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene]) is sourced from PubChem (CID 161230311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).