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

C59H35N5O — CID 166700020

IUPAC5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6c(c5)oc5ccccc56)nc(-c5cccc6ccccc56)n4)c32)cc1
InChIInChI=1S/C59H35N5O/c1-2-20-40(21-3-1)63-49-29-11-8-23-42(49)44-26-15-28-47(56(44)63)59-61-57(60-58(62-59)45-27-14-19-36-16-6-7-22-41(36)45)39-34-52(55-46-25-10-13-31-53(46)65-54(55)35-39)64-50-30-12-9-24-43(50)48-32-37-17-4-5-18-38(37)33-51(48)64/h1-35H
InChIKeyBANPULPXNLIAPR-UHFFFAOYSA-N
MW829.96 g/mol
LogP15.27
Rot. Bonds5

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

5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 166700020) has the molecular formula C59H35N5O and a molecular weight of 829.96 g/mol. Its IUPAC name is 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
PubChem CID166700020
Molecular FormulaC59H35N5O
Molecular Weight829.96 g/mol
Exact Mass829.28
IUPAC Name5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6c(c5)oc5ccccc56)nc(-c5cccc6ccccc56)n4)c32)cc1
InChIInChI=1S/C59H35N5O/c1-2-20-40(21-3-1)63-49-29-11-8-23-42(49)44-26-15-28-47(56(44)63)59-61-57(60-58(62-59)45-27-14-19-36-16-6-7-22-41(36)45)39-34-52(55-46-25-10-13-31-53(46)65-54(55)35-39)64-50-30-12-9-24-43(50)48-32-37-17-4-5-18-38(37)33-51(48)64/h1-35H
InChIKeyBANPULPXNLIAPR-UHFFFAOYSA-N
XLogP15.27
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.96
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700089
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
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141
12-[3-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167348099
5-[3-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347971
5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347698
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347672
12-[1-[4-phenyl-6-(9-phenylcarbazol-1-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 164714868
5-[3-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348095
5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347795
5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167348034
5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347323

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 166700020) is 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6c(c5)oc5ccccc56)nc(-c5cccc6ccccc56)n4)c32)cc1.
What is the InChIKey of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The InChIKey is BANPULPXNLIAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O/c1-2-20-40(21-3-1)63-49-29-11-8-23-42(49)44-26-15-28-47(56(44)63)59-61-57(60-58(62-59)45-27-14-19-36-16-6-7-22-41(36)45)39-34-52(55-46-25-10-13-31-53(46)65-54(55)35-39)64-50-30-12-9-24-43(50)48-32-37-17-4-5-18-38(37)33-51(48)64/h1-35H.
What are the key properties of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 829.96 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166700020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).