11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

C39H27N4O- — CID 163563137

IUPAC11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)[N-]C(c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)N2)cc1
InChIInChI=1S/C39H27N4O/c1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)31-21-12-20-28-29-23-24-33-34(36(29)44-35(28)31)30-19-10-11-22-32(30)43(33)27-17-8-3-9-18-27/h1-24,37,39H,(H,40,42)/q-1
InChIKeyFSYLGRSNAZRETR-UHFFFAOYSA-N
MW567.67 g/mol
LogP9.80
Rot. Bonds4

About 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 163563137) has the molecular formula C39H27N4O- and a molecular weight of 567.67 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
PubChem CID163563137
Molecular FormulaC39H27N4O-
Molecular Weight567.67 g/mol
Exact Mass567.22
IUPAC Name11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)[N-]C(c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)N2)cc1
InChIInChI=1S/C39H27N4O/c1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)31-21-12-20-28-29-23-24-33-34(36(29)44-35(28)31)30-19-10-11-22-32(30)43(33)27-17-8-3-9-18-27/h1-24,37,39H,(H,40,42)/q-1
InChIKeyFSYLGRSNAZRETR-UHFFFAOYSA-N
XLogP9.80
TPSA56.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.67
LogP ≤ 59.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-3,5-diaza-1-azanidacyclohex-3-en-2-yl]benzonitrile
CID 144943202
3-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 166961453
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736677
11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167233530
5-[3-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155002339
3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 138513984
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541208
15-[4-(4,6-diphenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 144969780
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole
CID 145190429
5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163599158
5-phenyl-10-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 163942946
5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 146541874

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 163563137) is 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(C2=NC(c3ccccc3)[N-]C(c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)N2)cc1.
What is the InChIKey of 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is FSYLGRSNAZRETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N4O/c1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)31-21-12-20-28-29-23-24-33-34(36(29)44-35(28)31)30-19-10-11-22-32(30)43(33)27-17-8-3-9-18-27/h1-24,37,39H,(H,40,42)/q-1.
What are the key properties of 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 567.67 g/mol, XLogP of 9.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163563137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).