5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole

C75H46N4O — CID 163412868

IUPAC5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc(-c3cc4c(cc3-n3c5ccccc5c5cc6ccccc6cc53)oc3cccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)nc(-c6ccc7ccccc7c6)n5)c34)cc2)cc1
InChIInChI=1S/C75H46N4O/c1-2-17-48(18-3-1)58-25-10-11-26-60(58)50-33-35-52(36-34-50)64-45-66-71(46-69(64)79-67-30-13-12-27-62(67)65-43-55-21-6-7-22-56(55)44-68(65)79)80-70-31-15-29-63(72(66)70)75-77-73(76-74(78-75)57-41-32-47-16-4-5-20-54(47)42-57)53-39-37-51(38-40-53)61-28-14-23-49-19-8-9-24-59(49)61/h1-46H
InChIKeyABXOEPLZZWDDOB-UHFFFAOYSA-N
MW1019.22 g/mol
LogP20.00
Rot. Bonds8

About 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole

5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 163412868) has the molecular formula C75H46N4O and a molecular weight of 1019.22 g/mol. Its IUPAC name is 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole
PubChem CID163412868
Molecular FormulaC75H46N4O
Molecular Weight1019.22 g/mol
Exact Mass1018.37
IUPAC Name5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc(-c3cc4c(cc3-n3c5ccccc5c5cc6ccccc6cc53)oc3cccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)nc(-c6ccc7ccccc7c6)n5)c34)cc2)cc1
InChIInChI=1S/C75H46N4O/c1-2-17-48(18-3-1)58-25-10-11-26-60(58)50-33-35-52(36-34-50)64-45-66-71(46-69(64)79-67-30-13-12-27-62(67)65-43-55-21-6-7-22-56(55)44-68(65)79)80-70-31-15-29-63(72(66)70)75-77-73(76-74(78-75)57-41-32-47-16-4-5-20-54(47)42-57)53-39-37-51(38-40-53)61-28-14-23-49-19-8-9-24-59(49)61/h1-46H
InChIKeyABXOEPLZZWDDOB-UHFFFAOYSA-N
XLogP20.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.22
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 163654764
5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 167043514
5-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163768078
2-naphthalen-2-yl-4-(8-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316506
5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 167031917
5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700691
5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474903
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155474965
12-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-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 166700834
2-(4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 161127098
5-[3-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347352

Frequently Asked Questions

What is the IUPAC name of 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole (CID 163412868) is 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2ccccc2-c2ccc(-c3cc4c(cc3-n3c5ccccc5c5cc6ccccc6cc53)oc3cccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)nc(-c6ccc7ccccc7c6)n5)c34)cc2)cc1.
What is the InChIKey of 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is ABXOEPLZZWDDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46N4O/c1-2-17-48(18-3-1)58-25-10-11-26-60(58)50-33-35-52(36-34-50)64-45-66-71(46-69(64)79-67-30-13-12-27-62(67)65-43-55-21-6-7-22-56(55)44-68(65)79)80-70-31-15-29-63(72(66)70)75-77-73(76-74(78-75)57-41-32-47-16-4-5-20-54(47)42-57)53-39-37-51(38-40-53)61-28-14-23-49-19-8-9-24-59(49)61/h1-46H.
What are the key properties of 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole?
5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 1019.22 g/mol, XLogP of 20.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 163412868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).