6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole

C72H47N5O — CID 142569574

IUPAC6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4cccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c45)c3)cc21
InChIInChI=1S/C72H47N5O/c1-72(2)61-28-13-9-22-53(61)54-35-32-46(41-62(54)72)49-38-48(44-18-5-3-6-19-44)39-50(40-49)52-26-17-27-59-60-43-51(76-63-29-14-10-23-55(63)56-24-11-15-30-64(56)76)34-37-65(60)77(68(52)59)71-74-69(45-20-7-4-8-21-45)73-70(75-71)47-33-36-58-57-25-12-16-31-66(57)78-67(58)42-47/h3-43H,1-2H3
InChIKeyHPNNANIHPSEZQP-UHFFFAOYSA-N
MW998.20 g/mol
LogP18.61
Rot. Bonds7

About 6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole

6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole (PubChem CID 142569574) has the molecular formula C72H47N5O and a molecular weight of 998.20 g/mol. Its IUPAC name is 6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
PubChem CID142569574
Molecular FormulaC72H47N5O
Molecular Weight998.20 g/mol
Exact Mass997.38
IUPAC Name6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4cccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c45)c3)cc21
InChIInChI=1S/C72H47N5O/c1-72(2)61-28-13-9-22-53(61)54-35-32-46(41-62(54)72)49-38-48(44-18-5-3-6-19-44)39-50(40-49)52-26-17-27-59-60-43-51(76-63-29-14-10-23-55(63)56-24-11-15-30-64(56)76)34-37-65(60)77(68(52)59)71-74-69(45-20-7-4-8-21-45)73-70(75-71)47-33-36-58-57-25-12-16-31-66(57)78-67(58)42-47/h3-43H,1-2H3
InChIKeyHPNNANIHPSEZQP-UHFFFAOYSA-N
XLogP18.61
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.20
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
CID 170080771
1-dibenzofuran-3-yl-9-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 130355704
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
CID 142568449
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 146337857
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 140907299
3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 168729255
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080056
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole
CID 142571981
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylcarbazole;ethane
CID 142569133

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole?
The IUPAC name of 6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole (CID 142569574) is 6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole.
What is the SMILES notation for 6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole?
The canonical SMILES for 6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4cccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c45)c3)cc21.
What is the InChIKey of 6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole?
The InChIKey is HPNNANIHPSEZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47N5O/c1-72(2)61-28-13-9-22-53(61)54-35-32-46(41-62(54)72)49-38-48(44-18-5-3-6-19-44)39-50(40-49)52-26-17-27-59-60-43-51(76-63-29-14-10-23-55(63)56-24-11-15-30-64(56)76)34-37-65(60)77(68(52)59)71-74-69(45-20-7-4-8-21-45)73-70(75-71)47-33-36-58-57-25-12-16-31-66(57)78-67(58)42-47/h3-43H,1-2H3.
What are the key properties of 6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole?
6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole has a molecular weight of 998.20 g/mol, XLogP of 18.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole is sourced from PubChem (CID 142569574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).