2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole

C60H40N2 — CID 137413800

IUPAC2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc5c6ccccc6n(-c6ccccc6)c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C60H40N2/c1-6-20-41(21-7-1)44-36-56(42-22-8-2-9-23-42)61-57(37-44)53-39-52-48-30-16-18-32-54(48)60(45-24-10-3-11-25-45,46-26-12-4-13-27-46)55(52)40-51(53)43-34-35-50-49-31-17-19-33-58(49)62(59(50)38-43)47-28-14-5-15-29-47/h1-40H
InChIKeyLZBRKNMDWOMXSX-UHFFFAOYSA-N
MW788.99 g/mol
LogP15.21
Rot. Bonds7

About 2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole

2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole (PubChem CID 137413800) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole
PubChem CID137413800
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc5c6ccccc6n(-c6ccccc6)c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C60H40N2/c1-6-20-41(21-7-1)44-36-56(42-22-8-2-9-23-42)61-57(37-44)53-39-52-48-30-16-18-32-54(48)60(45-24-10-3-11-25-45,46-26-12-4-13-27-46)55(52)40-51(53)43-34-35-50-49-31-17-19-33-58(49)62(59(50)38-43)47-28-14-5-15-29-47/h1-40H
InChIKeyLZBRKNMDWOMXSX-UHFFFAOYSA-N
XLogP15.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 167257271
4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole
CID 160757853
9-phenyl-N-(4-phenylphenyl)-N-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]carbazol-2-amine
CID 146367853
9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167257276
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492473
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole (CID 137413800) is 2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc5c6ccccc6n(-c6ccccc6)c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.
What is the InChIKey of 2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole?
The InChIKey is LZBRKNMDWOMXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-6-20-41(21-7-1)44-36-56(42-22-8-2-9-23-42)61-57(37-44)53-39-52-48-30-16-18-32-54(48)60(45-24-10-3-11-25-45,46-26-12-4-13-27-46)55(52)40-51(53)43-34-35-50-49-31-17-19-33-58(49)62(59(50)38-43)47-28-14-5-15-29-47/h1-40H.
What are the key properties of 2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole?
2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole has a molecular weight of 788.99 g/mol, XLogP of 15.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 137413800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).