7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole

C46H40N4O2 — CID 167223041

IUPAC7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole
SMILESCN1C(C2=CC=CCC2)=NC(c2ccc3c(c2)oc2c(N4c5cc6oc7c(c6cc5C5C=CC=CC54)C=CCC7)cccc23)NC1C1=CC=CCC1
InChIInChI=1S/C46H40N4O2/c1-49-45(28-13-4-2-5-14-28)47-44(48-46(49)29-15-6-3-7-16-29)30-23-24-33-34-19-12-21-38(43(34)52-41(33)25-30)50-37-20-10-8-17-31(37)35-26-36-32-18-9-11-22-40(32)51-42(36)27-39(35)50/h2-4,6,8-10,12-13,15,17-21,23-27,31,37,44-45,47H,5,7,11,14,16,22H2,1H3
InChIKeyABEWJQJWQDCCCA-UHFFFAOYSA-N
MW680.85 g/mol
LogP10.83
Rot. Bonds4

About 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole

7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole (PubChem CID 167223041) has the molecular formula C46H40N4O2 and a molecular weight of 680.85 g/mol. Its IUPAC name is 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole
PubChem CID167223041
Molecular FormulaC46H40N4O2
Molecular Weight680.85 g/mol
Exact Mass680.32
IUPAC Name7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole
SMILESCN1C(C2=CC=CCC2)=NC(c2ccc3c(c2)oc2c(N4c5cc6oc7c(c6cc5C5C=CC=CC54)C=CCC7)cccc23)NC1C1=CC=CCC1
InChIInChI=1S/C46H40N4O2/c1-49-45(28-13-4-2-5-14-28)47-44(48-46(49)29-15-6-3-7-16-29)30-23-24-33-34-19-12-21-38(43(34)52-41(33)25-30)50-37-20-10-8-17-31(37)35-26-36-32-18-9-11-22-40(32)51-42(36)27-39(35)50/h2-4,6,8-10,12-13,15,17-21,23-27,31,37,44-45,47H,5,7,11,14,16,22H2,1H3
InChIKeyABEWJQJWQDCCCA-UHFFFAOYSA-N
XLogP10.83
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 510.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]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

7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole
CID 167200383
9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole
CID 123729608
24-(6,7-dihydrodibenzofuran-2-yl)-6-(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),19,21,26-undecaene
CID 163597803
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-[5-cyclohexa-1,3-dien-1-yl-7-(3-dibenzofuran-2-ylphenyl)-3-methyl-3,4-dihydro-2H-azepin-2-yl]phenyl]carbazole
CID 147751849
2-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-9-dibenzothiophen-4-yl-4a,9a-dihydrocarbazole
CID 139555157
9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 146336072
9-(4a,11b-dihydrobenzo[b]carbazol-5-yl)-5-[3-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
CID 139569825
9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole
CID 146428839
9-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazole
CID 146395864
2-(4a,9a-dihydrocarbazol-9-yl)-5-[4-(3-oxa-21-azapentacyclo[11.8.0.02,10.04,9.014,20]henicosa-1(13),2(10),4(9),7,11,14(20),15-heptaen-21-yl)cyclohexa-1,5-dien-1-yl]benzonitrile
CID 155299658
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
CID 166962970
N'-[2-[(8-cyclohexa-1,3-dien-1-yl-6-phenyldibenzofuran-1-yl)methyl]-1-benzothiophen-3-yl]-9-phenyl-4b,8a-dihydrocarbazole-2-carboximidamide
CID 170065907

Frequently Asked Questions

What is the IUPAC name of 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole (CID 167223041) is 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole is CN1C(C2=CC=CCC2)=NC(c2ccc3c(c2)oc2c(N4c5cc6oc7c(c6cc5C5C=CC=CC54)C=CCC7)cccc23)NC1C1=CC=CCC1.
What is the InChIKey of 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole?
The InChIKey is ABEWJQJWQDCCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N4O2/c1-49-45(28-13-4-2-5-14-28)47-44(48-46(49)29-15-6-3-7-16-29)30-23-24-33-34-19-12-21-38(43(34)52-41(33)25-30)50-37-20-10-8-17-31(37)35-26-36-32-18-9-11-22-40(32)51-42(36)27-39(35)50/h2-4,6,8-10,12-13,15,17-21,23-27,31,37,44-45,47H,5,7,11,14,16,22H2,1H3.
What are the key properties of 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole?
7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole has a molecular weight of 680.85 g/mol, XLogP of 10.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 167223041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).