7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole

C47H28N4O — CID 167032684

IUPAC7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cc4oc5ccccc5c4cc3-n3c4ccccc4c4c5ccccc5ccc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C47H28N4O/c1-2-15-31(16-3-1)45-48-46(35-22-12-17-29-13-4-6-18-32(29)35)50-47(49-45)38-28-43-37(34-20-9-11-24-42(34)52-43)27-41(38)51-39-23-10-8-21-36(39)44-33-19-7-5-14-30(33)25-26-40(44)51/h1-28H
InChIKeyVAEKSUCUBHECQR-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.18
Rot. Bonds4

About 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole

7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole (PubChem CID 167032684) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole
PubChem CID167032684
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cc4oc5ccccc5c4cc3-n3c4ccccc4c4c5ccccc5ccc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C47H28N4O/c1-2-15-31(16-3-1)45-48-46(35-22-12-17-29-13-4-6-18-32(29)35)50-47(49-45)38-28-43-37(34-20-9-11-24-42(34)52-43)27-41(38)51-39-23-10-8-21-36(39)44-33-19-7-5-14-30(33)25-26-40(44)51/h1-28H
InChIKeyVAEKSUCUBHECQR-UHFFFAOYSA-N
XLogP12.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 155004722
12-[3-[4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 166699684
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-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 166699305
12-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-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 166699558
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
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700691
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-[2-[4,6-di(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 167347957
7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole
CID 166916847
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole
CID 167566631

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole (CID 167032684) is 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole is c1ccc(-c2nc(-c3cc4oc5ccccc5c4cc3-n3c4ccccc4c4c5ccccc5ccc43)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole?
The InChIKey is VAEKSUCUBHECQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-2-15-31(16-3-1)45-48-46(35-22-12-17-29-13-4-6-18-32(29)35)50-47(49-45)38-28-43-37(34-20-9-11-24-42(34)52-43)27-41(38)51-39-23-10-8-21-36(39)44-33-19-7-5-14-30(33)25-26-40(44)51/h1-28H.
What are the key properties of 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole?
7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole has a molecular weight of 664.77 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole is sourced from PubChem (CID 167032684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).