4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole

C55H37NO3 — CID 118860879

IUPAC4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole
SMILESCC12C=CC=CC1N(c1ccccc1)c1cccc(-c3ccc4c(c3)Oc3ccccc3-c3ccccc3Oc3cc(-c5cccc6oc7ccccc7c56)ccc3-4)c12
InChIInChI=1S/C55H37NO3/c1-55-32-12-11-27-52(55)56(37-15-3-2-4-16-37)45-22-13-21-39(54(45)55)36-29-31-43-42-30-28-35(38-20-14-26-49-53(38)44-19-7-10-25-48(44)57-49)33-50(42)58-46-23-8-5-17-40(46)41-18-6-9-24-47(41)59-51(43)34-36/h2-34,52H,1H3
InChIKeyVHCYTSNXZBAPFQ-UHFFFAOYSA-N
MW759.91 g/mol
LogP15.06
Rot. Bonds3

About 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole

4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole (PubChem CID 118860879) has the molecular formula C55H37NO3 and a molecular weight of 759.91 g/mol. Its IUPAC name is 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole.

Molecular Properties

Compound Name4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole
PubChem CID118860879
Molecular FormulaC55H37NO3
Molecular Weight759.91 g/mol
Exact Mass759.28
IUPAC Name4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole
SMILESCC12C=CC=CC1N(c1ccccc1)c1cccc(-c3ccc4c(c3)Oc3ccccc3-c3ccccc3Oc3cc(-c5cccc6oc7ccccc7c56)ccc3-4)c12
InChIInChI=1S/C55H37NO3/c1-55-32-12-11-27-52(55)56(37-15-3-2-4-16-37)45-22-13-21-39(54(45)55)36-29-31-43-42-30-28-35(38-20-14-26-49-53(38)44-19-7-10-25-48(44)57-49)33-50(42)58-46-23-8-5-17-40(46)41-18-6-9-24-47(41)59-51(43)34-36/h2-34,52H,1H3
InChIKeyVHCYTSNXZBAPFQ-UHFFFAOYSA-N
XLogP15.06
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.91
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-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-[2-(20-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaen-14-yl)phenyl]-4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
CID 155299689
N-[3-(9a-methyl-5aH-dibenzofuran-1-yl)phenyl]-2-dibenzofuran-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170300309
3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441859
6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
CID 140842833
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441918
10-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]phenoxazine
CID 165060457
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
9-[2-(3-dibenzofuran-1-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166037435
3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177298639
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
9-[3-(17-dibenzofuran-1-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14(19),15,17-nonaen-5-yl)phenyl]carbazole
CID 177103674

Frequently Asked Questions

What is the IUPAC name of 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole?
The IUPAC name of 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole (CID 118860879) is 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole.
What is the SMILES notation for 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole?
The canonical SMILES for 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole is CC12C=CC=CC1N(c1ccccc1)c1cccc(-c3ccc4c(c3)Oc3ccccc3-c3ccccc3Oc3cc(-c5cccc6oc7ccccc7c56)ccc3-4)c12.
What is the InChIKey of 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole?
The InChIKey is VHCYTSNXZBAPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO3/c1-55-32-12-11-27-52(55)56(37-15-3-2-4-16-37)45-22-13-21-39(54(45)55)36-29-31-43-42-30-28-35(38-20-14-26-49-53(38)44-19-7-10-25-48(44)57-49)33-50(42)58-46-23-8-5-17-40(46)41-18-6-9-24-47(41)59-51(43)34-36/h2-34,52H,1H3.
What are the key properties of 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole?
4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole has a molecular weight of 759.91 g/mol, XLogP of 15.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(24-dibenzofuran-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-4b-methyl-9-phenyl-8aH-carbazole is sourced from PubChem (CID 118860879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).