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

C51H30N4O — CID 155042478

IUPAC5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cccc5ccccc45)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5c4oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C51H30N4O/c1-2-14-33-28-36(25-24-31(33)12-1)49-52-50(41-21-11-17-32-13-5-6-18-37(32)41)54-51(53-49)47-44(27-26-40-39-20-8-10-23-46(39)56-48(40)47)55-43-22-9-7-19-38(43)42-29-34-15-3-4-16-35(34)30-45(42)55/h1-30H
InChIKeyAQBANJBMPRTIST-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.33
Rot. Bonds4

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

5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 155042478) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
PubChem CID155042478
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cccc5ccccc45)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5c4oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C51H30N4O/c1-2-14-33-28-36(25-24-31(33)12-1)49-52-50(41-21-11-17-32-13-5-6-18-37(32)41)54-51(53-49)47-44(27-26-40-39-20-8-10-23-46(39)56-48(40)47)55-43-22-9-7-19-38(43)42-29-34-15-3-4-16-35(34)30-45(42)55/h1-30H
InChIKeyAQBANJBMPRTIST-UHFFFAOYSA-N
XLogP13.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042447
5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 167347702
5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 167044059
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167348048
5-[4-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347729
5-[4-(4-dibenzothiophen-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700106
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347943
5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714677
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
12-[4-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-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 167347614
5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 155037672
12-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-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 167347367

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (CID 155042478) is 5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4cccc5ccccc45)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5c4oc4ccccc45)n3)ccc2c1.
What is the InChIKey of 5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is AQBANJBMPRTIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-2-14-33-28-36(25-24-31(33)12-1)49-52-50(41-21-11-17-32-13-5-6-18-37(32)41)54-51(53-49)47-44(27-26-40-39-20-8-10-23-46(39)56-48(40)47)55-43-22-9-7-19-38(43)42-29-34-15-3-4-16-35(34)30-45(42)55/h1-30H.
What are the key properties of 5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 714.83 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 155042478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).