4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole

C47H32N2O2 — CID 118860701

IUPAC4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole
SMILESC1=CC(c2ccc3c(c2)Oc2ccccc2-c2ccccc2Oc2cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc2-3)=CCN1
InChIInChI=1S/C47H32N2O2/c1-2-11-34(12-3-1)49-41-17-7-4-15-40(41)47-35(16-10-18-42(47)49)33-22-24-39-38-23-21-32(31-25-27-48-28-26-31)29-45(38)50-43-19-8-5-13-36(43)37-14-6-9-20-44(37)51-46(39)30-33/h1-27,29-30,48H,28H2
InChIKeyMOROEKWJNIIGPW-UHFFFAOYSA-N
MW656.79 g/mol
LogP12.18
Rot. Bonds3

About 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole

4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole (PubChem CID 118860701) has the molecular formula C47H32N2O2 and a molecular weight of 656.79 g/mol. Its IUPAC name is 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole
PubChem CID118860701
Molecular FormulaC47H32N2O2
Molecular Weight656.79 g/mol
Exact Mass656.25
IUPAC Name4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole
SMILESC1=CC(c2ccc3c(c2)Oc2ccccc2-c2ccccc2Oc2cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc2-3)=CCN1
InChIInChI=1S/C47H32N2O2/c1-2-11-34(12-3-1)49-41-17-7-4-15-40(41)47-35(16-10-18-42(47)49)33-22-24-39-38-23-21-32(31-25-27-48-28-26-31)29-45(38)50-43-19-8-5-13-36(43)37-14-6-9-20-44(37)51-46(39)30-33/h1-27,29-30,48H,28H2
InChIKeyMOROEKWJNIIGPW-UHFFFAOYSA-N
XLogP12.18
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 512.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole with MolForge

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Related Compounds

4-(24-dibenzothiophen-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)-9-phenylcarbazole
CID 118860881
3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 145299536
21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167138125
9-phenyl-3-(11-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-6-yl)carbazole
CID 118700467
4-[24-(1,2-dihydropyridin-6-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]-1,2-dihydropyridine
CID 118860622
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161
9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole
CID 118700580
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 170043910
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
CID 118490695
18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 167137905

Frequently Asked Questions

What is the IUPAC name of 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole?
The IUPAC name of 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole (CID 118860701) is 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole.
What is the SMILES notation for 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole?
The canonical SMILES for 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole is C1=CC(c2ccc3c(c2)Oc2ccccc2-c2ccccc2Oc2cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc2-3)=CCN1.
What is the InChIKey of 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole?
The InChIKey is MOROEKWJNIIGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O2/c1-2-11-34(12-3-1)49-41-17-7-4-15-40(41)47-35(16-10-18-42(47)49)33-22-24-39-38-23-21-32(31-25-27-48-28-26-31)29-45(38)50-43-19-8-5-13-36(43)37-14-6-9-20-44(37)51-46(39)30-33/h1-27,29-30,48H,28H2.
What are the key properties of 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole?
4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole has a molecular weight of 656.79 g/mol, XLogP of 12.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[24-(1,2-dihydropyridin-4-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]-9-phenylcarbazole is sourced from PubChem (CID 118860701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).