6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C36H24N4O — CID 146522799

IUPAC6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4CCc4ccnc5c4oc4cccnc45)c32)cc1
InChIInChI=1S/C36H24N4O/c1-2-9-24(10-3-1)40-29-14-7-4-11-25(29)26-16-17-30-32(35(26)40)27-12-5-6-13-28(27)39(30)22-19-23-18-21-38-34-33-31(41-36(23)34)15-8-20-37-33/h1-18,20-21H,19,22H2
InChIKeyWUGVCQOKVPOWOA-UHFFFAOYSA-N
MW528.62 g/mol
LogP8.82
Rot. Bonds4

About 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 146522799) has the molecular formula C36H24N4O and a molecular weight of 528.62 g/mol. Its IUPAC name is 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID146522799
Molecular FormulaC36H24N4O
Molecular Weight528.62 g/mol
Exact Mass528.20
IUPAC Name6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4CCc4ccnc5c4oc4cccnc45)c32)cc1
InChIInChI=1S/C36H24N4O/c1-2-9-24(10-3-1)40-29-14-7-4-11-25(29)26-16-17-30-32(35(26)40)27-12-5-6-13-28(27)39(30)22-19-23-18-21-38-34-33-31(41-36(23)34)15-8-20-37-33/h1-18,20-21H,19,22H2
InChIKeyWUGVCQOKVPOWOA-UHFFFAOYSA-N
XLogP8.82
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679111
28,31-diphenyl-7,10,13,28,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,18(30),19,21(29),22,24,26-tetradecaene
CID 163822226
19-phenyl-9-oxa-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737993
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
9-(1,10-phenanthrolin-2-yl)-18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634533
3,24-diphenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122523763
26-phenyl-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-amine
CID 147310301
20-[3-(3-carbazol-9-ylphenyl)phenyl]-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 139574904
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-18-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957382
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 170176907
16-phenyl-6,9,16-triazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;bis(22-phenyl-6,9,22-triazahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1,3,5,7,9,11,13,15(23),16,18,20,24-dodecaene);bis(23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene)
CID 161411761

Frequently Asked Questions

What is the IUPAC name of 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 146522799) is 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4CCc4ccnc5c4oc4cccnc45)c32)cc1.
What is the InChIKey of 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is WUGVCQOKVPOWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4O/c1-2-9-24(10-3-1)40-29-14-7-4-11-25(29)26-16-17-30-32(35(26)40)27-12-5-6-13-28(27)39(30)22-19-23-18-21-38-34-33-31(41-36(23)34)15-8-20-37-33/h1-18,20-21H,19,22H2.
What are the key properties of 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 528.62 g/mol, XLogP of 8.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)ethyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 146522799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).