5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole

C54H33N3O — CID 155450030

IUPAC5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1
InChIInChI=1S/C54H33N3O/c1-3-15-34(16-4-1)44-32-46(39-21-9-10-24-43(39)53(44)57-49-25-13-11-22-40(49)45-29-36-19-7-8-20-37(36)30-50(45)57)54-55-47(35-17-5-2-6-18-35)33-48(56-54)38-27-28-42-41-23-12-14-26-51(41)58-52(42)31-38/h1-33H
InChIKeyYLYUALARQZSNMH-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.45
Rot. Bonds5

About 5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole

5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole (PubChem CID 155450030) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole
PubChem CID155450030
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1
InChIInChI=1S/C54H33N3O/c1-3-15-34(16-4-1)44-32-46(39-21-9-10-24-43(39)53(44)57-49-25-13-11-22-40(49)45-29-36-19-7-8-20-37(36)30-50(45)57)54-55-47(35-17-5-2-6-18-35)33-48(56-54)38-27-28-42-41-23-12-14-26-51(41)58-52(42)31-38/h1-33H
InChIKeyYLYUALARQZSNMH-UHFFFAOYSA-N
XLogP14.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole
CID 155450095
5-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155451004
5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 155450072
12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-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 155451060
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-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 155450281
5-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 166915274
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-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 166917707
5-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 164714928
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014829
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118488603
5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603774

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole (CID 155450030) is 5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1.
What is the InChIKey of 5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole?
The InChIKey is YLYUALARQZSNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-3-15-34(16-4-1)44-32-46(39-21-9-10-24-43(39)53(44)57-49-25-13-11-22-40(49)45-29-36-19-7-8-20-37(36)30-50(45)57)54-55-47(35-17-5-2-6-18-35)33-48(56-54)38-27-28-42-41-23-12-14-26-51(41)58-52(42)31-38/h1-33H.
What are the key properties of 5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole?
5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole has a molecular weight of 739.88 g/mol, XLogP of 14.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 155450030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).