4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline

C54H33N5O — CID 159694372

IUPAC4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4nc(-c4ccccc4)c4oc6ccccc6c45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C54H33N5O/c1-3-14-35(15-4-1)49-51-48(43-20-9-12-25-47(43)60-51)44-22-13-21-40(50(44)55-49)34-26-28-37(29-27-34)53-56-52(36-16-5-2-6-17-36)57-54(58-53)38-30-32-39(33-31-38)59-45-23-10-7-18-41(45)42-19-8-11-24-46(42)59/h1-33H
InChIKeyBUZOPNVDLPQPOJ-UHFFFAOYSA-N
MW767.89 g/mol
LogP13.75
Rot. Bonds6

About 4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline

4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline (PubChem CID 159694372) has the molecular formula C54H33N5O and a molecular weight of 767.89 g/mol. Its IUPAC name is 4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
PubChem CID159694372
Molecular FormulaC54H33N5O
Molecular Weight767.89 g/mol
Exact Mass767.27
IUPAC Name4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4nc(-c4ccccc4)c4oc6ccccc6c45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C54H33N5O/c1-3-14-35(15-4-1)49-51-48(43-20-9-12-25-47(43)60-51)44-22-13-21-40(50(44)55-49)34-26-28-37(29-27-34)53-56-52(36-16-5-2-6-17-36)57-54(58-53)38-30-32-39(33-31-38)59-45-23-10-7-18-41(45)42-19-8-11-24-46(42)59/h1-33H
InChIKeyBUZOPNVDLPQPOJ-UHFFFAOYSA-N
XLogP13.75
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.89
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155049823
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158226928
11-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 163679241
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592787
6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine
CID 155249349
6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline
CID 157187607
4-(3-carbazol-9-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine;4-(4-carbazol-9-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzofuran-1-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine
CID 158279282
8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 148990639
6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
CID 160531838
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 170063463
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158226926

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline (CID 159694372) is 4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2nc(-c3ccc(-c4cccc5c4nc(-c4ccccc4)c4oc6ccccc6c45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?
The InChIKey is BUZOPNVDLPQPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5O/c1-3-14-35(15-4-1)49-51-48(43-20-9-12-25-47(43)60-51)44-22-13-21-40(50(44)55-49)34-26-28-37(29-27-34)53-56-52(36-16-5-2-6-17-36)57-54(58-53)38-30-32-39(33-31-38)59-45-23-10-7-18-41(45)42-19-8-11-24-46(42)59/h1-33H.
What are the key properties of 4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?
4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 767.89 g/mol, XLogP of 13.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 159694372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).