5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

C65H39N5O — CID 155475107

IUPAC5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4c5ccccc5cc5oc6ccccc6c45)c3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C65H39N5O/c1-3-17-40(18-4-1)63-66-64(44-31-33-56-51(36-44)48-25-11-14-28-54(48)69(56)46-22-5-2-6-23-46)68-65(67-63)45-32-34-57(70-55-29-15-12-26-49(55)52-35-41-19-7-8-20-42(41)38-58(52)70)53(37-45)61-47-24-10-9-21-43(47)39-60-62(61)50-27-13-16-30-59(50)71-60/h1-39H
InChIKeyADLCQPUYDLCNCK-UHFFFAOYSA-N
MW906.06 g/mol
LogP16.94
Rot. Bonds6

About 5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155475107) has the molecular formula C65H39N5O and a molecular weight of 906.06 g/mol. Its IUPAC name is 5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
PubChem CID155475107
Molecular FormulaC65H39N5O
Molecular Weight906.06 g/mol
Exact Mass905.32
IUPAC Name5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4c5ccccc5cc5oc6ccccc6c45)c3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C65H39N5O/c1-3-17-40(18-4-1)63-66-64(44-31-33-56-51(36-44)48-25-11-14-28-54(48)69(56)46-22-5-2-6-23-46)68-65(67-63)45-32-34-57(70-55-29-15-12-26-49(55)52-35-41-19-7-8-20-42(41)38-58(52)70)53(37-45)61-47-24-10-9-21-43(47)39-60-62(61)50-27-13-16-30-59(50)71-60/h1-39H
InChIKeyADLCQPUYDLCNCK-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-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714946
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714738
5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole
CID 155474988
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-phenylphenyl)-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155450759
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-[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-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714916
5-[1-[4-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714619
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167348086
5-[2-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347317
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155475107) is 5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4c5ccccc5cc5oc6ccccc6c45)c3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is ADLCQPUYDLCNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N5O/c1-3-17-40(18-4-1)63-66-64(44-31-33-56-51(36-44)48-25-11-14-28-54(48)69(56)46-22-5-2-6-23-46)68-65(67-63)45-32-34-57(70-55-29-15-12-26-49(55)52-35-41-19-7-8-20-42(41)38-58(52)70)53(37-45)61-47-24-10-9-21-43(47)39-60-62(61)50-27-13-16-30-59(50)71-60/h1-39H.
What are the key properties of 5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
5-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]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-[2-naphtho[3,2-b][1]benzofuran-11-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155475107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).