4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

C71H41N7O — CID 177100811

IUPAC4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc(-c2nc(-c3ccccc3)nc3oc4ccccc4c23)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C71H41N7O/c72-42-55-61(77-57-32-16-12-28-49(57)54-40-63-53(41-64(54)77)48-27-11-15-31-56(48)76(63)46-24-8-3-9-25-46)38-44(68-67-52-30-14-19-35-65(52)79-71(67)74-70(73-68)43-20-4-1-5-21-43)39-62(55)78-58-33-17-10-26-47(58)50-36-37-60-66(69(50)78)51-29-13-18-34-59(51)75(60)45-22-6-2-7-23-45/h1-41H
InChIKeyOAPRVLLJCZWDFO-UHFFFAOYSA-N
MW1008.16 g/mol
LogP17.97
Rot. Bonds6

About 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 177100811) has the molecular formula C71H41N7O and a molecular weight of 1008.16 g/mol. Its IUPAC name is 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID177100811
Molecular FormulaC71H41N7O
Molecular Weight1008.16 g/mol
Exact Mass1007.34
IUPAC Name4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc(-c2nc(-c3ccccc3)nc3oc4ccccc4c23)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C71H41N7O/c72-42-55-61(77-57-32-16-12-28-49(57)54-40-63-53(41-64(54)77)48-27-11-15-31-56(48)76(63)46-24-8-3-9-25-46)38-44(68-67-52-30-14-19-35-65(52)79-71(67)74-70(73-68)43-20-4-1-5-21-43)39-62(55)78-58-33-17-10-26-47(58)50-36-37-60-66(69(50)78)51-29-13-18-34-59(51)75(60)45-22-6-2-7-23-45/h1-41H
InChIKeyOAPRVLLJCZWDFO-UHFFFAOYSA-N
XLogP17.97
TPSA82.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.16
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile with MolForge

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Related Compounds

4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050861
5-[2-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]benzene-1,3-dicarbonitrile
CID 167250856
4-phenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 130333492
5-(5-cyano-2,6-diphenylpyrimidin-4-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 170253873
4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile
CID 163455194
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163795188
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2-carbonitrile
CID 155158821
4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170050981
12-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334102
22-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-19-(9-phenylcarbazol-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 126621816
2-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163600124
3-isocyano-5-[2-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]benzonitrile
CID 153313869

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 177100811) is 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is N#Cc1c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc(-c2nc(-c3ccccc3)nc3oc4ccccc4c23)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.
What is the InChIKey of 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is OAPRVLLJCZWDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H41N7O/c72-42-55-61(77-57-32-16-12-28-49(57)54-40-63-53(41-64(54)77)48-27-11-15-31-56(48)76(63)46-24-8-3-9-25-46)38-44(68-67-52-30-14-19-35-65(52)79-71(67)74-70(73-68)43-20-4-1-5-21-43)39-62(55)78-58-33-17-10-26-47(58)50-36-37-60-66(69(50)78)51-29-13-18-34-59(51)75(60)45-22-6-2-7-23-45/h1-41H.
What are the key properties of 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 1008.16 g/mol, XLogP of 17.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 177100811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).