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

C53H30N4O2 — CID 167043577

IUPAC5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c2oc3ccccc3c2c1
InChIInChI=1S/C53H30N4O2/c1-2-15-33-28-46-42(27-32(33)14-1)36-18-5-8-24-45(36)57(46)34-29-43-38-20-7-10-26-48(38)59-50(43)44(30-34)53-55-51(40-22-11-16-31-13-3-4-17-35(31)40)54-52(56-53)41-23-12-21-39-37-19-6-9-25-47(37)58-49(39)41/h1-30H
InChIKeyFIDOYTLZCIHUDT-UHFFFAOYSA-N
MW754.85 g/mol
LogP14.07
Rot. Bonds4

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

5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 167043577) has the molecular formula C53H30N4O2 and a molecular weight of 754.85 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID167043577
Molecular FormulaC53H30N4O2
Molecular Weight754.85 g/mol
Exact Mass754.24
IUPAC Name5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c2oc3ccccc3c2c1
InChIInChI=1S/C53H30N4O2/c1-2-15-33-28-46-42(27-32(33)14-1)36-18-5-8-24-45(36)57(46)34-29-43-38-20-7-10-26-48(38)59-50(43)44(30-34)53-55-51(40-22-11-16-31-13-3-4-17-35(31)40)54-52(56-53)41-23-12-21-39-37-19-6-9-25-47(37)58-49(39)41/h1-30H
InChIKeyFIDOYTLZCIHUDT-UHFFFAOYSA-N
XLogP14.07
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
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-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700520
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698980
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-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
CID 166916866
9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 170228295
5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole
CID 155430458

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 167043577) is 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c2oc3ccccc3c2c1.
What is the InChIKey of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is FIDOYTLZCIHUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4O2/c1-2-15-33-28-46-42(27-32(33)14-1)36-18-5-8-24-45(36)57(46)34-29-43-38-20-7-10-26-48(38)59-50(43)44(30-34)53-55-51(40-22-11-16-31-13-3-4-17-35(31)40)54-52(56-53)41-23-12-21-39-37-19-6-9-25-47(37)58-49(39)41/h1-30H.
What are the key properties of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 754.85 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 167043577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).