5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole

C73H44N6O — CID 155430650

IUPAC5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5ccc6oc7ccccc7c6c5)n4)ccc32)cc1
InChIInChI=1S/C73H44N6O/c1-3-19-50(20-4-1)77-63-27-13-9-23-53(63)59-41-48(31-36-66(59)77)71-74-72(49-32-37-67-60(42-49)54-24-10-14-28-64(54)78(67)51-21-5-2-6-22-51)76-73(75-71)57-35-34-52(44-58(57)47-33-38-70-62(40-47)56-26-12-16-30-69(56)80-70)79-65-29-15-11-25-55(65)61-39-45-17-7-8-18-46(45)43-68(61)79/h1-44H
InChIKeyMUUQCAHIMZWYQP-UHFFFAOYSA-N
MW1021.20 g/mol
LogP18.88
Rot. Bonds7

About 5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole

5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole (PubChem CID 155430650) has the molecular formula C73H44N6O and a molecular weight of 1021.20 g/mol. Its IUPAC name is 5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole
PubChem CID155430650
Molecular FormulaC73H44N6O
Molecular Weight1021.20 g/mol
Exact Mass1020.36
IUPAC Name5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5ccc6oc7ccccc7c6c5)n4)ccc32)cc1
InChIInChI=1S/C73H44N6O/c1-3-19-50(20-4-1)77-63-27-13-9-23-53(63)59-41-48(31-36-66(59)77)71-74-72(49-32-37-67-60(42-49)54-24-10-14-28-64(54)78(67)51-21-5-2-6-22-51)76-73(75-71)57-35-34-52(44-58(57)47-33-38-70-62(40-47)56-26-12-16-30-69(56)80-70)79-65-29-15-11-25-55(65)61-39-45-17-7-8-18-46(45)43-68(61)79/h1-44H
InChIKeyMUUQCAHIMZWYQP-UHFFFAOYSA-N
XLogP18.88
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.20
LogP ≤ 518.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155430129
5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430580
5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155430148
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347889
3-[4-dibenzofuran-2-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169280120
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167348086
12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 167347572
5-[2-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347317
5-[3-dibenzothiophen-2-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430529
5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043111
3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 163486477
12-[6-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 163846224

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole (CID 155430650) is 5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5ccc6oc7ccccc7c6c5)n4)ccc32)cc1.
What is the InChIKey of 5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole?
The InChIKey is MUUQCAHIMZWYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N6O/c1-3-19-50(20-4-1)77-63-27-13-9-23-53(63)59-41-48(31-36-66(59)77)71-74-72(49-32-37-67-60(42-49)54-24-10-14-28-64(54)78(67)51-21-5-2-6-22-51)76-73(75-71)57-35-34-52(44-58(57)47-33-38-70-62(40-47)56-26-12-16-30-69(56)80-70)79-65-29-15-11-25-55(65)61-39-45-17-7-8-18-46(45)43-68(61)79/h1-44H.
What are the key properties of 5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole?
5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole has a molecular weight of 1021.20 g/mol, XLogP of 18.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155430650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).