6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol

C39H24N4O2 — CID 166933189

IUPAC6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol
SMILESOC1c2ccccc2-c2c(ccc3ccccc23)N1c1cnc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)nc1
InChIInChI=1S/C39H24N4O2/c44-38-29-14-4-3-13-28(29)37-25-10-2-1-9-23(25)17-18-33(37)42(38)24-21-40-39(41-22-24)43-32-15-7-5-11-26(32)30-19-31-27-12-6-8-16-35(27)45-36(31)20-34(30)43/h1-22,38,44H
InChIKeyZRWWPPPODIXJEE-UHFFFAOYSA-N
MW580.65 g/mol
LogP9.44
Rot. Bonds2

About 6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol

6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol (PubChem CID 166933189) has the molecular formula C39H24N4O2 and a molecular weight of 580.65 g/mol. Its IUPAC name is 6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol.

Molecular Properties

Compound Name6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol
PubChem CID166933189
Molecular FormulaC39H24N4O2
Molecular Weight580.65 g/mol
Exact Mass580.19
IUPAC Name6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol
SMILESOC1c2ccccc2-c2c(ccc3ccccc23)N1c1cnc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)nc1
InChIInChI=1S/C39H24N4O2/c44-38-29-14-4-3-13-28(29)37-25-10-2-1-9-23(25)17-18-33(37)42(38)24-21-40-39(41-22-24)43-32-15-7-5-11-26(32)30-19-31-27-12-6-8-16-35(27)45-36(31)20-34(30)43/h1-22,38,44H
InChIKeyZRWWPPPODIXJEE-UHFFFAOYSA-N
XLogP9.44
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.65
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole
CID 126631130
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 140957360
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328536
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
7-(4-dibenzofuran-1-ylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole
CID 155139462
10-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 121386084
7-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502665
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
CID 146280840

Frequently Asked Questions

What is the IUPAC name of 6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol?
The IUPAC name of 6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol (CID 166933189) is 6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol.
What is the SMILES notation for 6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol?
The canonical SMILES for 6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol is OC1c2ccccc2-c2c(ccc3ccccc23)N1c1cnc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)nc1.
What is the InChIKey of 6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol?
The InChIKey is ZRWWPPPODIXJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O2/c44-38-29-14-4-3-13-28(29)37-25-10-2-1-9-23(25)17-18-33(37)42(38)24-21-40-39(41-22-24)43-32-15-7-5-11-26(32)30-19-31-27-12-6-8-16-35(27)45-36(31)20-34(30)43/h1-22,38,44H.
What are the key properties of 6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol?
6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol has a molecular weight of 580.65 g/mol, XLogP of 9.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-([1]benzofuro[2,3-b]carbazol-7-yl)pyrimidin-5-yl]-5H-benzo[a]phenanthridin-5-ol is sourced from PubChem (CID 166933189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).