4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene

C36H22N2O2 — CID 145390349

IUPAC4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
SMILESc1ccc(-n2c3cc4c(cc3c3c2ccc2c5ccccc5n(-c5ccccc5)c23)Oc2ccccc2O4)cc1
InChIInChI=1S/C36H22N2O2/c1-3-11-23(12-4-1)37-29-20-19-26-25-15-7-8-16-28(25)38(24-13-5-2-6-14-24)36(26)35(29)27-21-33-34(22-30(27)37)40-32-18-10-9-17-31(32)39-33/h1-22H
InChIKeyQMXYVBGJCVDEPK-UHFFFAOYSA-N
MW514.58 g/mol
LogP9.78
Rot. Bonds2

About 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene

4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene (PubChem CID 145390349) has the molecular formula C36H22N2O2 and a molecular weight of 514.58 g/mol. Its IUPAC name is 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene.

Molecular Properties

Compound Name4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
PubChem CID145390349
Molecular FormulaC36H22N2O2
Molecular Weight514.58 g/mol
Exact Mass514.17
IUPAC Name4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
SMILESc1ccc(-n2c3cc4c(cc3c3c2ccc2c5ccccc5n(-c5ccccc5)c23)Oc2ccccc2O4)cc1
InChIInChI=1S/C36H22N2O2/c1-3-11-23(12-4-1)37-29-20-19-26-25-15-7-8-16-28(25)38(24-13-5-2-6-14-24)36(26)35(29)27-21-33-34(22-30(27)37)40-32-18-10-9-17-31(32)39-33/h1-22H
InChIKeyQMXYVBGJCVDEPK-UHFFFAOYSA-N
XLogP9.78
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene with MolForge

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Related Compounds

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5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole
CID 168757527
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
5,12-diphenylindolo[3,2-c]carbazole-10-carbaldehyde
CID 140956390
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
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Frequently Asked Questions

What is the IUPAC name of 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene?
The IUPAC name of 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene (CID 145390349) is 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene.
What is the SMILES notation for 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene?
The canonical SMILES for 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene is c1ccc(-n2c3cc4c(cc3c3c2ccc2c5ccccc5n(-c5ccccc5)c23)Oc2ccccc2O4)cc1.
What is the InChIKey of 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene?
The InChIKey is QMXYVBGJCVDEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O2/c1-3-11-23(12-4-1)37-29-20-19-26-25-15-7-8-16-28(25)38(24-13-5-2-6-14-24)36(26)35(29)27-21-33-34(22-30(27)37)40-32-18-10-9-17-31(32)39-33/h1-22H.
What are the key properties of 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene?
4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene has a molecular weight of 514.58 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene is sourced from PubChem (CID 145390349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).