12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole

C34H20N4O — CID 118502599

IUPAC12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1cnc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cccc32)nc1
InChIInChI=1S/C34H20N4O/c1-4-12-26-21(9-1)23-17-18-24-22-10-3-6-16-30(22)39-33(24)32(23)37(26)28-14-7-15-29-31(28)25-11-2-5-13-27(25)38(29)34-35-19-8-20-36-34/h1-20H
InChIKeyGUIHTZZXTMVNPS-UHFFFAOYSA-N
MW500.56 g/mol
LogP8.57
Rot. Bonds2

About 12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole

12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 118502599) has the molecular formula C34H20N4O and a molecular weight of 500.56 g/mol. Its IUPAC name is 12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID118502599
Molecular FormulaC34H20N4O
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC Name12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1cnc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cccc32)nc1
InChIInChI=1S/C34H20N4O/c1-4-12-26-21(9-1)23-17-18-24-22-10-3-6-16-30(22)39-33(24)32(23)37(26)28-14-7-15-29-31(28)25-11-2-5-13-27(25)38(29)34-35-19-8-20-36-34/h1-20H
InChIKeyGUIHTZZXTMVNPS-UHFFFAOYSA-N
XLogP8.57
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-dibenzofuran-1-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744311
12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole
CID 122427693
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
CID 118502561
12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146226936
5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 89013113
12-dibenzofuran-2-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744285
[4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588348
15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679111
12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612094
12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 160626261
12-dibenzofuran-1-yl-5-phenylindolo[3,2-c]carbazole
CID 167029676

Frequently Asked Questions

What is the IUPAC name of 12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole (CID 118502599) is 12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole is c1cnc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cccc32)nc1.
What is the InChIKey of 12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is GUIHTZZXTMVNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4O/c1-4-12-26-21(9-1)23-17-18-24-22-10-3-6-16-30(22)39-33(24)32(23)37(26)28-14-7-15-29-31(28)25-11-2-5-13-27(25)38(29)34-35-19-8-20-36-34/h1-20H.
What are the key properties of 12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole?
12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 500.56 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 118502599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).