4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine

C52H35N3O2 — CID 167047587

IUPAC4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine
SMILESC1=CC2Oc3ccc(C4=NC5c6cc(-c7ccccc7)ccc6OC5C(c5ccccc5)=N4)cc3C2C=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C52H35N3O2/c1-4-12-32(13-5-1)34-21-26-48-43(30-34)50-51(57-48)49(33-14-6-2-7-15-33)53-52(54-50)37-23-27-47-42(31-37)41-29-36(22-25-46(41)56-47)35-20-24-45-40(28-35)39-18-10-11-19-44(39)55(45)38-16-8-3-9-17-38/h1-31,41,46,50-51H
InChIKeyZDYUXZWDLGTPJX-UHFFFAOYSA-N
MW733.87 g/mol
LogP11.70
Rot. Bonds5

About 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine

4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 167047587) has the molecular formula C52H35N3O2 and a molecular weight of 733.87 g/mol. Its IUPAC name is 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine
PubChem CID167047587
Molecular FormulaC52H35N3O2
Molecular Weight733.87 g/mol
Exact Mass733.27
IUPAC Name4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine
SMILESC1=CC2Oc3ccc(C4=NC5c6cc(-c7ccccc7)ccc6OC5C(c5ccccc5)=N4)cc3C2C=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C52H35N3O2/c1-4-12-32(13-5-1)34-21-26-48-43(30-34)50-51(57-48)49(33-14-6-2-7-15-33)53-52(54-50)37-23-27-47-42(31-37)41-29-36(22-25-46(41)56-47)35-20-24-45-40(28-35)39-18-10-11-19-44(39)55(45)38-16-8-3-9-17-38/h1-31,41,46,50-51H
InChIKeyZDYUXZWDLGTPJX-UHFFFAOYSA-N
XLogP11.70
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.87
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole
CID 71234625
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine
CID 118963240
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 166037349
1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 71134747
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
3-methyl-9-(8-methyl-4a,9b-dihydrodibenzofuran-2-yl)carbazole
CID 138722958
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601

Frequently Asked Questions

What is the IUPAC name of 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine (CID 167047587) is 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine is C1=CC2Oc3ccc(C4=NC5c6cc(-c7ccccc7)ccc6OC5C(c5ccccc5)=N4)cc3C2C=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ZDYUXZWDLGTPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O2/c1-4-12-32(13-5-1)34-21-26-48-43(30-34)50-51(57-48)49(33-14-6-2-7-15-33)53-52(54-50)37-23-27-47-42(31-37)41-29-36(22-25-46(41)56-47)35-20-24-45-40(28-35)39-18-10-11-19-44(39)55(45)38-16-8-3-9-17-38/h1-31,41,46,50-51H.
What are the key properties of 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine?
4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 733.87 g/mol, XLogP of 11.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 167047587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).