5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole

C65H39N5O — CID 166700028

IUPAC5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4c6ccccc6ccc45)n3)c2)cc1
InChIInChI=1S/C65H39N5O/c1-3-16-40(17-4-1)42-21-15-22-45(36-42)63-66-64(46-31-34-57-53(38-46)49-26-11-13-28-55(49)69(57)47-23-5-2-6-24-47)68-65(67-63)52-33-35-58(60-51-32-30-41-18-9-10-25-48(41)61(51)71-62(52)60)70-56-29-14-12-27-50(56)54-37-43-19-7-8-20-44(43)39-59(54)70/h1-39H
InChIKeyXVNDZDZJVRUGOB-UHFFFAOYSA-N
MW906.06 g/mol
LogP16.94
Rot. Bonds6

About 5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole

5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole (PubChem CID 166700028) has the molecular formula C65H39N5O and a molecular weight of 906.06 g/mol. Its IUPAC name is 5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
PubChem CID166700028
Molecular FormulaC65H39N5O
Molecular Weight906.06 g/mol
Exact Mass905.32
IUPAC Name5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4c6ccccc6ccc45)n3)c2)cc1
InChIInChI=1S/C65H39N5O/c1-3-16-40(17-4-1)42-21-15-22-45(36-42)63-66-64(46-31-34-57-53(38-46)49-26-11-13-28-55(49)69(57)47-23-5-2-6-24-47)68-65(67-63)52-33-35-58(60-51-32-30-41-18-9-10-25-48(41)61(51)71-62(52)60)70-56-29-14-12-27-50(56)54-37-43-19-7-8-20-44(43)39-59(54)70/h1-39H
InChIKeyXVNDZDZJVRUGOB-UHFFFAOYSA-N
XLogP16.94
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.06
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[10-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699413
5-[1-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole;12-[1-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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;5-[7-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]benzo[b]carbazole
CID 164962466
5-[10-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 167347761
5-[6-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 155450894
5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167347739
5-[2-naphtho[1,2-b][1]benzofuran-7-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474711
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700154
12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-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 155042940
12-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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 167348055
5-[2-(4-phenylphenyl)-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155450759
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
2-dibenzofuran-2-yl-7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[2,3-b]carbazole
CID 155158827

Frequently Asked Questions

What is the IUPAC name of 5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The IUPAC name of 5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole (CID 166700028) is 5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The canonical SMILES for 5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4c6ccccc6ccc45)n3)c2)cc1.
What is the InChIKey of 5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The InChIKey is XVNDZDZJVRUGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N5O/c1-3-16-40(17-4-1)42-21-15-22-45(36-42)63-66-64(46-31-34-57-53(38-46)49-26-11-13-28-55(49)69(57)47-23-5-2-6-24-47)68-65(67-63)52-33-35-58(60-51-32-30-41-18-9-10-25-48(41)61(51)71-62(52)60)70-56-29-14-12-27-50(56)54-37-43-19-7-8-20-44(43)39-59(54)70/h1-39H.
What are the key properties of 5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole has a molecular weight of 906.06 g/mol, XLogP of 16.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole is sourced from PubChem (CID 166700028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).