5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole

C70H43N5O — CID 163954156

IUPAC5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C70H43N5O/c1-5-21-44(22-6-1)67-71-68(45-37-38-59-54(39-45)50-29-13-17-33-58(50)70(59,46-23-7-2-8-24-46)47-25-9-3-10-26-47)73-69(72-67)57-40-49(41-65-66(57)53-32-16-20-36-64(53)76-65)75-61-35-19-15-31-52(61)56-42-55-51-30-14-18-34-60(51)74(62(55)43-63(56)75)48-27-11-4-12-28-48/h1-43H
InChIKeySBWRYIJHZIBZRW-UHFFFAOYSA-N
MW970.15 g/mol
LogP17.33
Rot. Bonds7

About 5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole

5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 163954156) has the molecular formula C70H43N5O and a molecular weight of 970.15 g/mol. Its IUPAC name is 5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID163954156
Molecular FormulaC70H43N5O
Molecular Weight970.15 g/mol
Exact Mass969.35
IUPAC Name5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C70H43N5O/c1-5-21-44(22-6-1)67-71-68(45-37-38-59-54(39-45)50-29-13-17-33-58(50)70(59,46-23-7-2-8-24-46)47-25-9-3-10-26-47)73-69(72-67)57-40-49(41-65-66(57)53-32-16-20-36-64(53)76-65)75-61-35-19-15-31-52(61)56-42-55-51-30-14-18-34-60(51)74(62(55)43-63(56)75)48-27-11-4-12-28-48/h1-43H
InChIKeySBWRYIJHZIBZRW-UHFFFAOYSA-N
XLogP17.33
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.15
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 164715042
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602166
5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014518
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602337
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 118507595
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
5-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 164714928
5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
CID 130327275
5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 169015039
5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163915985
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163456699
15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546078

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole (CID 163954156) is 5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is SBWRYIJHZIBZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N5O/c1-5-21-44(22-6-1)67-71-68(45-37-38-59-54(39-45)50-29-13-17-33-58(50)70(59,46-23-7-2-8-24-46)47-25-9-3-10-26-47)73-69(72-67)57-40-49(41-65-66(57)53-32-16-20-36-64(53)76-65)75-61-35-19-15-31-52(61)56-42-55-51-30-14-18-34-60(51)74(62(55)43-63(56)75)48-27-11-4-12-28-48/h1-43H.
What are the key properties of 5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole?
5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 970.15 g/mol, XLogP of 17.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 163954156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).