9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole

C54H35N3O — CID 166670175

IUPAC9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3c(c2)oc2cccc(C4=NC(c5ccc6ccccc6c5)=NC(c5ccc6ccccc6c5)C4)c23)cc1
InChIInChI=1S/C54H35N3O/c1-2-14-36(15-3-1)42-19-10-22-49-52(42)44-18-8-9-21-48(44)57(49)41-28-29-45-51(32-41)58-50-23-11-20-43(53(45)50)47-33-46(39-26-24-34-12-4-6-16-37(34)30-39)55-54(56-47)40-27-25-35-13-5-7-17-38(35)31-40/h1-32,46H,33H2
InChIKeyLGYHSOPTRJSREO-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.04
Rot. Bonds5

About 9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole

9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole (PubChem CID 166670175) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole
PubChem CID166670175
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC Name9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3c(c2)oc2cccc(C4=NC(c5ccc6ccccc6c5)=NC(c5ccc6ccccc6c5)C4)c23)cc1
InChIInChI=1S/C54H35N3O/c1-2-14-36(15-3-1)42-19-10-22-49-52(42)44-18-8-9-21-48(44)57(49)41-28-29-45-51(32-41)58-50-23-11-20-43(53(45)50)47-33-46(39-26-24-34-12-4-6-16-37(34)30-39)55-54(56-47)40-27-25-35-13-5-7-17-38(35)31-40/h1-32,46H,33H2
InChIKeyLGYHSOPTRJSREO-UHFFFAOYSA-N
XLogP14.04
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 166953278
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 146333965
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253451
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
9-[3-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146266717
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-phenylbenzo[c]carbazole
CID 146491044
9-[9-(4-chrysen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 176817892
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146334377
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726
9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenylcarbazole
CID 169059387
9-phenyl-14-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176817804

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
The IUPAC name of 9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole (CID 166670175) is 9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole is c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3c(c2)oc2cccc(C4=NC(c5ccc6ccccc6c5)=NC(c5ccc6ccccc6c5)C4)c23)cc1.
What is the InChIKey of 9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
The InChIKey is LGYHSOPTRJSREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-2-14-36(15-3-1)42-19-10-22-49-52(42)44-18-8-9-21-48(44)57(49)41-28-29-45-51(32-41)58-50-23-11-20-43(53(45)50)47-33-46(39-26-24-34-12-4-6-16-37(34)30-39)55-54(56-47)40-27-25-35-13-5-7-17-38(35)31-40/h1-32,46H,33H2.
What are the key properties of 9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole has a molecular weight of 741.89 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole is sourced from PubChem (CID 166670175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).