9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole

C44H27N3O — CID 164707544

IUPAC9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C44H27N3O/c1-3-14-28(15-4-1)36-27-37(29-16-5-2-6-17-29)46-44(45-36)35-26-30-18-7-8-19-31(30)41-34-22-13-25-40(42(34)48-43(35)41)47-38-23-11-9-20-32(38)33-21-10-12-24-39(33)47/h1-27H
InChIKeyBNUKJIVFYLKGFE-UHFFFAOYSA-N
MW613.72 g/mol
LogP11.63
Rot. Bonds4

About 9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole

9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole (PubChem CID 164707544) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole.

Molecular Properties

Compound Name9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
PubChem CID164707544
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C44H27N3O/c1-3-14-28(15-4-1)36-27-37(29-16-5-2-6-17-29)46-44(45-36)35-26-30-18-7-8-19-31(30)41-34-22-13-25-40(42(34)48-43(35)41)47-38-23-11-9-20-32(38)33-21-10-12-24-39(33)47/h1-27H
InChIKeyBNUKJIVFYLKGFE-UHFFFAOYSA-N
XLogP11.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707562
5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 164707859
9-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 165108667
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole
CID 164707932
9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 170106292
2-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-6-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;4-phenyl-2-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)naphtho[2,1-b][1]benzofuran-6-yl]-[1]benzothiolo[3,2-d]pyrimidine;5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole;9-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 165098177
CID 165056535
CID 165056535
12-[10-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-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 156553999
9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 146337911
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600
9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole
CID 59147591
9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556110

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
The IUPAC name of 9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole (CID 164707544) is 9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole.
What is the SMILES notation for 9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
The canonical SMILES for 9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1.
What is the InChIKey of 9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
The InChIKey is BNUKJIVFYLKGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c1-3-14-28(15-4-1)36-27-37(29-16-5-2-6-17-29)46-44(45-36)35-26-30-18-7-8-19-31(30)41-34-22-13-25-40(42(34)48-43(35)41)47-38-23-11-9-20-32(38)33-21-10-12-24-39(33)47/h1-27H.
What are the key properties of 9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole has a molecular weight of 613.72 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole is sourced from PubChem (CID 164707544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).