9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole

C62H39N3O — CID 164834774

IUPAC9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6c(oc7cccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)c76)c6ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C62H39N3O/c1-3-15-40(16-4-1)45-19-13-20-46(37-45)56-39-55(63-62(64-56)44-17-5-2-6-18-44)43-31-29-42(30-32-43)53-38-54-60-48(25-14-28-59(60)66-61(54)52-24-8-7-21-49(52)53)41-33-35-47(36-34-41)65-57-26-11-9-22-50(57)51-23-10-12-27-58(51)65/h1-39H
InChIKeyFDSOIBVUECGXSF-UHFFFAOYSA-N
MW842.01 g/mol
LogP16.63
Rot. Bonds7

About 9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole

9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole (PubChem CID 164834774) has the molecular formula C62H39N3O and a molecular weight of 842.01 g/mol. Its IUPAC name is 9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole
PubChem CID164834774
Molecular FormulaC62H39N3O
Molecular Weight842.01 g/mol
Exact Mass841.31
IUPAC Name9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6c(oc7cccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)c76)c6ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C62H39N3O/c1-3-15-40(16-4-1)45-19-13-20-46(37-45)56-39-55(63-62(64-56)44-17-5-2-6-18-44)43-31-29-42(30-32-43)53-38-54-60-48(25-14-28-59(60)66-61(54)52-24-8-7-21-49(52)53)41-33-35-47(36-34-41)65-57-26-11-9-22-50(57)51-23-10-12-27-58(51)65/h1-39H
InChIKeyFDSOIBVUECGXSF-UHFFFAOYSA-N
XLogP16.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.01
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304
4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835257
2,4-diphenyl-6-[3-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]pyrimidine
CID 164834788
2-[3-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 130465762
2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835316
4-(4-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-[6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158954021
4-[5-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164834764
9-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019
9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole
CID 164834991
4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818663
4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818034

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole (CID 164834774) is 9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6c(oc7cccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)c76)c6ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole?
The InChIKey is FDSOIBVUECGXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3O/c1-3-15-40(16-4-1)45-19-13-20-46(37-45)56-39-55(63-62(64-56)44-17-5-2-6-18-44)43-31-29-42(30-32-43)53-38-54-60-48(25-14-28-59(60)66-61(54)52-24-8-7-21-49(52)53)41-33-35-47(36-34-41)65-57-26-11-9-22-50(57)51-23-10-12-27-58(51)65/h1-39H.
What are the key properties of 9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole?
9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole has a molecular weight of 842.01 g/mol, XLogP of 16.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole is sourced from PubChem (CID 164834774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).