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

C53H32N4O — CID 146491280

IUPAC5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4c3c2)cc1
InChIInChI=1S/C53H32N4O/c1-3-12-33(13-4-1)39-24-26-46-43(30-39)44-29-37-18-9-10-19-38(37)31-47(44)57(46)41-25-27-48-45(32-41)50-42(20-11-21-49(50)58-48)53-55-51(35-15-5-2-6-16-35)54-52(56-53)40-23-22-34-14-7-8-17-36(34)28-40/h1-32H
InChIKeyDUFICCMZUGJBLK-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.84
Rot. Bonds5

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

5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole (PubChem CID 146491280) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole
PubChem CID146491280
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4c3c2)cc1
InChIInChI=1S/C53H32N4O/c1-3-12-33(13-4-1)39-24-26-46-43(30-39)44-29-37-18-9-10-19-38(37)31-47(44)57(46)41-25-27-48-45(32-41)50-42(20-11-21-49(50)58-48)53-55-51(35-15-5-2-6-16-35)54-52(56-53)40-23-22-34-14-7-8-17-36(34)28-40/h1-32H
InChIKeyDUFICCMZUGJBLK-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole
CID 162501390
12-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146491103
3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 167377389
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448
12-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163754953
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 154602051
4-naphthalen-2-yl-2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 162501502
2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016716
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-phenylbenzo[c]carbazole
CID 146491044

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole?
The IUPAC name of 5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole (CID 146491280) is 5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole.
What is the SMILES notation for 5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole?
The canonical SMILES for 5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole is c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4c3c2)cc1.
What is the InChIKey of 5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole?
The InChIKey is DUFICCMZUGJBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-3-12-33(13-4-1)39-24-26-46-43(30-39)44-29-37-18-9-10-19-38(37)31-47(44)57(46)41-25-27-48-45(32-41)50-42(20-11-21-49(50)58-48)53-55-51(35-15-5-2-6-16-35)54-52(56-53)40-23-22-34-14-7-8-17-36(34)28-40/h1-32H.
What are the key properties of 5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole?
5-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole has a molecular weight of 740.87 g/mol, XLogP of 13.84, 5 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-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylbenzo[b]carbazole is sourced from PubChem (CID 146491280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).