bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene

C184H148O8 — CID 158732908

IUPACbis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene
SMILESCC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2-c2ccccc21.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/4C18H14O.2C18H14.4C14H12O.2C10H8/c4*1-18(19)16-9-5-4-8-14(16)15-10-12-6-2-3-7-13(12)11-17(15)18;2*1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;4*1-14(15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-2-6-10-8-4-3-7-9(10)5-1/h4*2-11,19H,1H3;2*1-14H;4*2-9,15H,1H3;2*1-8H
InChIKeyILHXVZQXEOYKCK-UHFFFAOYSA-N
MW2487.20 g/mol
LogP43.72
Rot. Bonds4

About bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene

bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene (PubChem CID 158732908) has the molecular formula C184H148O8 and a molecular weight of 2487.20 g/mol. Its IUPAC name is bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene.

Molecular Properties

Compound Namebis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene
PubChem CID158732908
Molecular FormulaC184H148O8
Molecular Weight2487.20 g/mol
Exact Mass2485.12
IUPAC Namebis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene
SMILESCC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2-c2ccccc21.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/4C18H14O.2C18H14.4C14H12O.2C10H8/c4*1-18(19)16-9-5-4-8-14(16)15-10-12-6-2-3-7-13(12)11-17(15)18;2*1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;4*1-14(15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-2-6-10-8-4-3-7-9(10)5-1/h4*2-11,19H,1H3;2*1-14H;4*2-9,15H,1H3;2*1-8H
InChIKeyILHXVZQXEOYKCK-UHFFFAOYSA-N
XLogP43.72
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002487.20
LogP ≤ 543.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
CID 161069048
methane;9-methylfluoren-9-ol
CID 160708378
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163493770
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
10,10-dimethyl-14,21-dinaphthalen-2-yl-18-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123220350
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[b]fluoren-7-amine
CID 156554249
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
2-chloro-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
CID 134194053
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501

Frequently Asked Questions

What is the IUPAC name of bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene?
The IUPAC name of bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene (CID 158732908) is bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene.
What is the SMILES notation for bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene?
The canonical SMILES for bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene is CC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2cc3ccccc3cc21.CC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2-c2ccccc21.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene?
The InChIKey is ILHXVZQXEOYKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H14O.2C18H14.4C14H12O.2C10H8/c4*1-18(19)16-9-5-4-8-14(16)15-10-12-6-2-3-7-13(12)11-17(15)18;2*1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;4*1-14(15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-2-6-10-8-4-3-7-9(10)5-1/h4*2-11,19H,1H3;2*1-14H;4*2-9,15H,1H3;2*1-8H.
What are the key properties of bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene?
bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene has a molecular weight of 2487.20 g/mol, XLogP of 43.72, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene is sourced from PubChem (CID 158732908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).