9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C82H51N7O2 — CID 162093791

IUPAC9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc3c2oc2cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)cc1.[C-]#[N+]c1cc(-c2cccc3oc4c(-c5ccccc5)nc(-c5ccccc5)nc4c23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C41H24N4O.C41H27N3O/c1-42-29-23-28(24-30(25-29)45-34-20-10-8-17-32(34)33-18-9-11-21-35(33)45)31-19-12-22-36-37(31)39-40(46-36)38(26-13-4-2-5-14-26)43-41(44-39)27-15-6-3-7-16-27;1-26-21-23-27(24-22-26)38-40-39(43-41(42-38)28-11-3-2-4-12-28)37-31(17-10-20-36(37)45-40)29-13-9-14-30(25-29)44-34-18-7-5-15-32(34)33-16-6-8-19-35(33)44/h2-25H;2-25H,1H3
InChIKeyZDYVJRKHKWFBMZ-UHFFFAOYSA-N
MW1166.36 g/mol
LogP21.81
Rot. Bonds8

About 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 162093791) has the molecular formula C82H51N7O2 and a molecular weight of 1166.36 g/mol. Its IUPAC name is 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID162093791
Molecular FormulaC82H51N7O2
Molecular Weight1166.36 g/mol
Exact Mass1165.41
IUPAC Name9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc3c2oc2cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)cc1.[C-]#[N+]c1cc(-c2cccc3oc4c(-c5ccccc5)nc(-c5ccccc5)nc4c23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C41H24N4O.C41H27N3O/c1-42-29-23-28(24-30(25-29)45-34-20-10-8-17-32(34)33-18-9-11-21-35(33)45)31-19-12-22-36-37(31)39-40(46-36)38(26-13-4-2-5-14-26)43-41(44-39)27-15-6-3-7-16-27;1-26-21-23-27(24-22-26)38-40-39(43-41(42-38)28-11-3-2-4-12-28)37-31(17-10-20-36(37)45-40)29-13-9-14-30(25-29)44-34-18-7-5-15-32(34)33-16-6-8-19-35(33)44/h2-25H;2-25H,1H3
InChIKeyZDYVJRKHKWFBMZ-UHFFFAOYSA-N
XLogP21.81
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.36
LogP ≤ 521.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

9-(3-carbazol-9-ylphenyl)-4-(4-isocyanophenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 155601196
2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 159859091
8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 148990639
2,4-diphenyl-6-[3-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 146606209
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592787
2,4-diphenyl-9-(19-phenyl-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 171619977
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163455374
9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149426
2-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 168826463
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118232398
4-phenyl-2-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 130333838
3-dibenzofuran-1-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165052317

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 162093791) is 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is Cc1ccc(-c2nc(-c3ccccc3)nc3c2oc2cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)cc1.[C-]#[N+]c1cc(-c2cccc3oc4c(-c5ccccc5)nc(-c5ccccc5)nc4c23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ZDYVJRKHKWFBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4O.C41H27N3O/c1-42-29-23-28(24-30(25-29)45-34-20-10-8-17-32(34)33-18-9-11-21-35(33)45)31-19-12-22-36-37(31)39-40(46-36)38(26-13-4-2-5-14-26)43-41(44-39)27-15-6-3-7-16-27;1-26-21-23-27(24-22-26)38-40-39(43-41(42-38)28-11-3-2-4-12-28)37-31(17-10-20-36(37)45-40)29-13-9-14-30(25-29)44-34-18-7-5-15-32(34)33-16-6-8-19-35(33)44/h2-25H;2-25H,1H3.
What are the key properties of 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1166.36 g/mol, XLogP of 21.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-yl-5-isocyanophenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;9-(3-carbazol-9-ylphenyl)-4-(4-methylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 162093791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).