1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene

C256H265N11OS — CID 165018509

IUPAC1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CN(c1ccccc1)c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccncc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccncc1.c1cncc(-n2c3ccccc3c3ccccc32)c1.c1cncc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C25H18.C18H13N.2C18H15N.3C17H12N2.C15H14.C13H13N.C12H8O.C12H8S.C12H10.C10H8.3C7H8.C5H5N.13C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-16-14(7-1)15-8-2-4-10-17(15)19(16)13-6-5-11-18-12-13;1-3-7-16-14(5-1)15-6-2-4-8-17(15)19(16)13-9-11-18-12-10-13;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;3*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;13*1-2/h1-18H;1-13H;2*1-15H;3*1-12H;3-10H,1-2H3;2-11H,1H3;2*1-8H;1-10H;1-8H;3*2-6H,1H3;1-5H;13*1-2H3
InChIKeyKUJWHLMIPJNJFK-UHFFFAOYSA-N
MW3544.08 g/mol
LogP75.37
Rot. Bonds15

About 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene

1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene (PubChem CID 165018509) has the molecular formula C256H265N11OS and a molecular weight of 3544.08 g/mol. Its IUPAC name is 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene.

Molecular Properties

Compound Name1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene
PubChem CID165018509
Molecular FormulaC256H265N11OS
Molecular Weight3544.08 g/mol
Exact Mass3541.07
IUPAC Name1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CN(c1ccccc1)c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccncc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccncc1.c1cncc(-n2c3ccccc3c3ccccc32)c1.c1cncc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C25H18.C18H13N.2C18H15N.3C17H12N2.C15H14.C13H13N.C12H8O.C12H8S.C12H10.C10H8.3C7H8.C5H5N.13C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-16-14(7-1)15-8-2-4-10-17(15)19(16)13-6-5-11-18-12-13;1-3-7-16-14(5-1)15-6-2-4-8-17(15)19(16)13-9-11-18-12-10-13;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;3*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;13*1-2/h1-18H;1-13H;2*1-15H;3*1-12H;3-10H,1-2H3;2-11H,1H3;2*1-8H;1-10H;1-8H;3*2-6H,1H3;1-5H;13*1-2H3
InChIKeyKUJWHLMIPJNJFK-UHFFFAOYSA-N
XLogP75.37
TPSA94.14 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms269
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003544.08
LogP ≤ 575.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene?
The IUPAC name of 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene (CID 165018509) is 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene.
What is the SMILES notation for 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene?
The canonical SMILES for 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CN(c1ccccc1)c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccncc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccncc1.c1cncc(-n2c3ccccc3c3ccccc32)c1.c1cncc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene?
The InChIKey is KUJWHLMIPJNJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C18H13N.2C18H15N.3C17H12N2.C15H14.C13H13N.C12H8O.C12H8S.C12H10.C10H8.3C7H8.C5H5N.13C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-16-14(7-1)15-8-2-4-10-17(15)19(16)13-6-5-11-18-12-13;1-3-7-16-14(5-1)15-6-2-4-8-17(15)19(16)13-9-11-18-12-10-13;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;3*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;13*1-2/h1-18H;1-13H;2*1-15H;3*1-12H;3-10H,1-2H3;2-11H,1H3;2*1-8H;1-10H;1-8H;3*2-6H,1H3;1-5H;13*1-2H3.
What are the key properties of 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene?
1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene has a molecular weight of 3544.08 g/mol, XLogP of 75.37, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene is sourced from PubChem (CID 165018509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).