dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene

C190H202O — CID 161262359

IUPACdibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1c(-c2ccccc2)cccc1-c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C19H16.3C18H14.C12H8O.4C10H8.7C7H8.8C2H6/c1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)17-11-6-3-7-12-17;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;4*1-2-6-10-8-4-3-7-9(10)5-1;7*1-7-5-3-2-4-6-7;8*1-2/h2-14H,1H3;3*1-14H;1-8H;4*1-8H;7*2-6H,1H3;8*1-2H3
InChIKeyVCSMBUQTIHJWIR-UHFFFAOYSA-N
MW2501.70 g/mol
LogP57.51
Rot. Bonds8

About dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene

dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene (PubChem CID 161262359) has the molecular formula C190H202O and a molecular weight of 2501.70 g/mol. Its IUPAC name is dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene.

Molecular Properties

Compound Namedibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene
PubChem CID161262359
Molecular FormulaC190H202O
Molecular Weight2501.70 g/mol
Exact Mass2499.58
IUPAC Namedibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1c(-c2ccccc2)cccc1-c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C19H16.3C18H14.C12H8O.4C10H8.7C7H8.8C2H6/c1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)17-11-6-3-7-12-17;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;4*1-2-6-10-8-4-3-7-9(10)5-1;7*1-7-5-3-2-4-6-7;8*1-2/h2-14H,1H3;3*1-14H;1-8H;4*1-8H;7*2-6H,1H3;8*1-2H3
InChIKeyVCSMBUQTIHJWIR-UHFFFAOYSA-N
XLogP57.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms191
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002501.70
LogP ≤ 557.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene
CID 157326464
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran
CID 143904784
3-(3-methylphenyl)dibenzofuran
CID 70924364
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136900
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844

Frequently Asked Questions

What is the IUPAC name of dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene?
The IUPAC name of dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene (CID 161262359) is dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene.
What is the SMILES notation for dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene?
The canonical SMILES for dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.Cc1c(-c2ccccc2)cccc1-c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene?
The InChIKey is VCSMBUQTIHJWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.3C18H14.C12H8O.4C10H8.7C7H8.8C2H6/c1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)17-11-6-3-7-12-17;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;4*1-2-6-10-8-4-3-7-9(10)5-1;7*1-7-5-3-2-4-6-7;8*1-2/h2-14H,1H3;3*1-14H;1-8H;4*1-8H;7*2-6H,1H3;8*1-2H3.
What are the key properties of dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene?
dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene has a molecular weight of 2501.70 g/mol, XLogP of 57.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene is sourced from PubChem (CID 161262359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).