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

C61H37N5O — CID 166698980

IUPAC5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4ccccc45)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C61H37N5O/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)59-62-60(49-26-15-25-48-45-22-9-13-28-54(45)66(57(48)49)43-20-5-2-6-21-43)64-61(63-59)52-37-44(36-51-47-24-11-14-29-56(47)67-58(51)52)65-53-27-12-10-23-46(53)50-34-41-18-7-8-19-42(41)35-55(50)65/h1-37H
InChIKeyDTNHETAUBRXSSQ-UHFFFAOYSA-N
MW856.00 g/mol
LogP15.79
Rot. Bonds6

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

5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 166698980) has the molecular formula C61H37N5O and a molecular weight of 856.00 g/mol. Its IUPAC name is 5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID166698980
Molecular FormulaC61H37N5O
Molecular Weight856.00 g/mol
Exact Mass855.30
IUPAC Name5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4ccccc45)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C61H37N5O/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)59-62-60(49-26-15-25-48-45-22-9-13-28-54(45)66(57(48)49)43-20-5-2-6-21-43)64-61(63-59)52-37-44(36-51-47-24-11-14-29-56(47)67-58(51)52)65-53-27-12-10-23-46(53)50-34-41-18-7-8-19-42(41)35-55(50)65/h1-37H
InChIKeyDTNHETAUBRXSSQ-UHFFFAOYSA-N
XLogP15.79
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.00
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347449
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-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
12-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166699577
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 163705036
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
5-[3-dibenzofuran-4-yl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430338
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043577
5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347704
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene
CID 162507130
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621588

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (CID 166698980) is 5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4ccccc45)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1.
What is the InChIKey of 5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is DTNHETAUBRXSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)59-62-60(49-26-15-25-48-45-22-9-13-28-54(45)66(57(48)49)43-20-5-2-6-21-43)64-61(63-59)52-37-44(36-51-47-24-11-14-29-56(47)67-58(51)52)65-53-27-12-10-23-46(53)50-34-41-18-7-8-19-42(41)35-55(50)65/h1-37H.
What are the key properties of 5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 856.00 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 166698980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).