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

C57H32N4O2 — CID 166699291

IUPAC5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc2oc3c4ccccc4ccc3c12
InChIInChI=1S/C57H32N4O2/c1-2-16-36-30-48-46(29-35(36)15-1)40-20-7-9-25-47(40)61(48)49-31-37(32-51-52(49)44-28-27-34-14-4-6-19-39(34)53(44)63-51)55-58-56(43-23-11-17-33-13-3-5-18-38(33)43)60-57(59-55)45-24-12-22-42-41-21-8-10-26-50(41)62-54(42)45/h1-32H
InChIKeyYERCXPJRKMTOTP-UHFFFAOYSA-N
MW804.91 g/mol
LogP15.23
Rot. Bonds4

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

5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole (PubChem CID 166699291) has the molecular formula C57H32N4O2 and a molecular weight of 804.91 g/mol. Its IUPAC name is 5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
PubChem CID166699291
Molecular FormulaC57H32N4O2
Molecular Weight804.91 g/mol
Exact Mass804.25
IUPAC Name5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc2oc3c4ccccc4ccc3c12
InChIInChI=1S/C57H32N4O2/c1-2-16-36-30-48-46(29-35(36)15-1)40-20-7-9-25-47(40)61(48)49-31-37(32-51-52(49)44-28-27-34-14-4-6-19-39(34)53(44)63-51)55-58-56(43-23-11-17-33-13-3-5-18-38(33)43)60-57(59-55)45-24-12-22-42-41-21-8-10-26-50(41)62-54(42)45/h1-32H
InChIKeyYERCXPJRKMTOTP-UHFFFAOYSA-N
XLogP15.23
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.91
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[9-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166700217
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141
5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347704
12-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-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 167347535
5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166700023
5-[7-(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 164715019
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
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-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700020
12-[9-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-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 166699225
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
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

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The IUPAC name of 5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole (CID 166699291) is 5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The canonical SMILES for 5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc2oc3c4ccccc4ccc3c12.
What is the InChIKey of 5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The InChIKey is YERCXPJRKMTOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4O2/c1-2-16-36-30-48-46(29-35(36)15-1)40-20-7-9-25-47(40)61(48)49-31-37(32-51-52(49)44-28-27-34-14-4-6-19-39(34)53(44)63-51)55-58-56(43-23-11-17-33-13-3-5-18-38(33)43)60-57(59-55)45-24-12-22-42-41-21-8-10-26-50(41)62-54(42)45/h1-32H.
What are the key properties of 5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole has a molecular weight of 804.91 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole is sourced from PubChem (CID 166699291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).