benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene

C243H248N8 — CID 160773344

IUPACbenzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cn1c2ccccc2c2ccccc21.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccccc1.c1ccncc1
InChIInChI=1S/C25H16.C18H13N.C18H12.3C18H14.C16H13N3.C15H14.C13H11N.C13H10.C12H10.2C11H9N.C6H6.C5H5N.13C2H6/c1-5-13-21-17(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;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;2*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;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10(6-3-1)11-7-4-8-12-9-11;2*1-2-4-6-5-3-1;13*1-2/h1-16H;1-13H;1-12H;3*1-14H;2-11H,1H3;3-10H,1-2H3;2-9H,1H3;1-8H,9H2;1-10H;2*1-9H;1-6H;1-5H;13*1-2H3
InChIKeyRZPPRQFANKOAQZ-UHFFFAOYSA-N
MW3280.71 g/mol
LogP70.08
Rot. Bonds12

About benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene

benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene (PubChem CID 160773344) has the molecular formula C243H248N8 and a molecular weight of 3280.71 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene
PubChem CID160773344
Molecular FormulaC243H248N8
Molecular Weight3280.71 g/mol
Exact Mass3277.97
IUPAC Namebenzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cn1c2ccccc2c2ccccc21.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccccc1.c1ccncc1
InChIInChI=1S/C25H16.C18H13N.C18H12.3C18H14.C16H13N3.C15H14.C13H11N.C13H10.C12H10.2C11H9N.C6H6.C5H5N.13C2H6/c1-5-13-21-17(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;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;2*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;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10(6-3-1)11-7-4-8-12-9-11;2*1-2-4-6-5-3-1;13*1-2/h1-16H;1-13H;1-12H;3*1-14H;2-11H,1H3;3-10H,1-2H3;2-9H,1H3;1-8H,9H2;1-10H;2*1-9H;1-6H;1-5H;13*1-2H3
InChIKeyRZPPRQFANKOAQZ-UHFFFAOYSA-N
XLogP70.08
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms251
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003280.71
LogP ≤ 570.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene with MolForge

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Related Compounds

4-(3-carbazol-9-ylphenyl)-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-(3-carbazol-9-ylphenyl)-5,5-dimethyl-2-(4-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine;4-(3-carbazol-9-ylphenyl)-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 160617282
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9,9,10-triphenylacridin-3-yl)phenyl]fluoren-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[3-(9,9,10-triphenylacridin-3-yl)phenyl]carbazol-3-amine;N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline;N-(4-phenylphenyl)-N-(4-pyridin-3-ylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline
CID 160790568
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 159513755
11-phenyl-4-[4-(3-phenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-phenyl-4-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163428681
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
4-[(9-phenylcarbazol-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]benzonitrile;9-phenyl-N-(4-pyridin-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine;9-phenyl-N-(4-pyridin-3-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 157069368
9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 164843360

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene?
The IUPAC name of benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene (CID 160773344) is benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene.
What is the SMILES notation for benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene?
The canonical SMILES for benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cn1c2ccccc2c2ccccc21.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccccc1.c1ccncc1.
What is the InChIKey of benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene?
The InChIKey is RZPPRQFANKOAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C18H13N.C18H12.3C18H14.C16H13N3.C15H14.C13H11N.C13H10.C12H10.2C11H9N.C6H6.C5H5N.13C2H6/c1-5-13-21-17(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;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;2*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;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10(6-3-1)11-7-4-8-12-9-11;2*1-2-4-6-5-3-1;13*1-2/h1-16H;1-13H;1-12H;3*1-14H;2-11H,1H3;3-10H,1-2H3;2-9H,1H3;1-8H,9H2;1-10H;2*1-9H;1-6H;1-5H;13*1-2H3.
What are the key properties of benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene?
benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene has a molecular weight of 3280.71 g/mol, XLogP of 70.08, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene is sourced from PubChem (CID 160773344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).