anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene

C202H148N6O2S2Se — CID 159784300

IUPACanthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene
SMILESc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ncnc3ccccc23)cc1.c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[se]c1ccccc12.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccncc1.c1cncnc1
InChIInChI=1S/C24H16.C18H12.2C18H14.C14H10N2.C14H10.C13H10O.C13H10S.C13H10.C12H9N.C12H8O.C12H8S.C12H8Se.C5H5N.C4H4N2/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)15-10-16-14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-6-5-3-1;1-2-5-4-6-3-1/h1-16H;1-12H;2*1-14H;1-10H;1-10H;2*1-8H,9H2;1-8H,9H2;1-8,13H;3*1-8H;1-5H;1-4H/b19-17-,20-18-,23-21-,24-22-;;;;;;;;;;;;;;
InChIKeyNHTINUFFTDEYFP-GLTHFOMVSA-N
MW2834.54 g/mol
LogP55.10
Rot. Bonds5

About anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene

anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene (PubChem CID 159784300) has the molecular formula C202H148N6O2S2Se and a molecular weight of 2834.54 g/mol. Its IUPAC name is anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene.

Molecular Properties

Compound Nameanthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene
PubChem CID159784300
Molecular FormulaC202H148N6O2S2Se
Molecular Weight2834.54 g/mol
Exact Mass2833.03
IUPAC Nameanthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene
SMILESc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ncnc3ccccc23)cc1.c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[se]c1ccccc12.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccncc1.c1cncnc1
InChIInChI=1S/C24H16.C18H12.2C18H14.C14H10N2.C14H10.C13H10O.C13H10S.C13H10.C12H9N.C12H8O.C12H8S.C12H8Se.C5H5N.C4H4N2/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)15-10-16-14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-6-5-3-1;1-2-5-4-6-3-1/h1-16H;1-12H;2*1-14H;1-10H;1-10H;2*1-8H,9H2;1-8H,9H2;1-8,13H;3*1-8H;1-5H;1-4H/b19-17-,20-18-,23-21-,24-22-;;;;;;;;;;;;;;
InChIKeyNHTINUFFTDEYFP-GLTHFOMVSA-N
XLogP55.10
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms213
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002834.54
LogP ≤ 555.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene with MolForge

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Related Compounds

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2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
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2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
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4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine
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4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
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2-[8-(3-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
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14-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
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7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine
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4-[4-[3-(5H-indeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118243365

Frequently Asked Questions

What is the IUPAC name of anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene?
The IUPAC name of anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene (CID 159784300) is anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene.
What is the SMILES notation for anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene?
The canonical SMILES for anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene is c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ncnc3ccccc23)cc1.c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[se]c1ccccc12.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccncc1.c1cncnc1.
What is the InChIKey of anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene?
The InChIKey is NHTINUFFTDEYFP-GLTHFOMVSA-N. The full InChI is InChI=1S/C24H16.C18H12.2C18H14.C14H10N2.C14H10.C13H10O.C13H10S.C13H10.C12H9N.C12H8O.C12H8S.C12H8Se.C5H5N.C4H4N2/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)15-10-16-14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-6-5-3-1;1-2-5-4-6-3-1/h1-16H;1-12H;2*1-14H;1-10H;1-10H;2*1-8H,9H2;1-8H,9H2;1-8,13H;3*1-8H;1-5H;1-4H/b19-17-,20-18-,23-21-,24-22-;;;;;;;;;;;;;;.
What are the key properties of anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene?
anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene has a molecular weight of 2834.54 g/mol, XLogP of 55.10, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene is sourced from PubChem (CID 159784300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).