24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene

C42H25NO2 — CID 118145613

IUPAC24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
SMILESc1ccc2c(c1)Oc1cc3c4ccccc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3cc1-c1ccccc1-2
InChIInChI=1S/C42H25NO2/c1-2-11-30-29(10-1)32-13-4-7-18-39(32)44-41-25-35-31-12-3-6-17-37(31)43(38(35)24-36(30)41)27-22-20-26(21-23-27)28-15-9-16-34-33-14-5-8-19-40(33)45-42(28)34/h1-25H
InChIKeyDQFVMQCYRFOEIS-UHFFFAOYSA-N
MW575.67 g/mol
LogP11.79
Rot. Bonds2

About 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene

24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene (PubChem CID 118145613) has the molecular formula C42H25NO2 and a molecular weight of 575.67 g/mol. Its IUPAC name is 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene.

Molecular Properties

Compound Name24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
PubChem CID118145613
Molecular FormulaC42H25NO2
Molecular Weight575.67 g/mol
Exact Mass575.19
IUPAC Name24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
SMILESc1ccc2c(c1)Oc1cc3c4ccccc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3cc1-c1ccccc1-2
InChIInChI=1S/C42H25NO2/c1-2-11-30-29(10-1)32-13-4-7-18-39(32)44-41-25-35-31-12-3-6-17-37(31)43(38(35)24-36(30)41)27-22-20-26(21-23-27)28-15-9-16-34-33-14-5-8-19-40(33)45-42(28)34/h1-25H
InChIKeyDQFVMQCYRFOEIS-UHFFFAOYSA-N
XLogP11.79
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene with MolForge

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Related Compounds

3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137466609
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137474165
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296

Frequently Asked Questions

What is the IUPAC name of 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene?
The IUPAC name of 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene (CID 118145613) is 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene.
What is the SMILES notation for 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene?
The canonical SMILES for 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene is c1ccc2c(c1)Oc1cc3c4ccccc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3cc1-c1ccccc1-2.
What is the InChIKey of 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene?
The InChIKey is DQFVMQCYRFOEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2/c1-2-11-30-29(10-1)32-13-4-7-18-39(32)44-41-25-35-31-12-3-6-17-37(31)43(38(35)24-36(30)41)27-22-20-26(21-23-27)28-15-9-16-34-33-14-5-8-19-40(33)45-42(28)34/h1-25H.
What are the key properties of 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene?
24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene has a molecular weight of 575.67 g/mol, XLogP of 11.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene is sourced from PubChem (CID 118145613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).