5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene

C36H21N3O — CID 154600868

IUPAC5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2ccc2oc4cc5ccccc5cc4c23)cc1
InChIInChI=1S/C36H21N3O/c1-2-10-22(11-3-1)34-27-18-19-31-33(28-20-23-12-4-5-13-24(23)21-32(28)40-31)35(27)38-36(37-34)39-29-16-8-6-14-25(29)26-15-7-9-17-30(26)39/h1-21H
InChIKeyTWJBPANKIGDVNI-UHFFFAOYSA-N
MW511.58 g/mol
LogP9.45
Rot. Bonds2

About 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene

5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene (PubChem CID 154600868) has the molecular formula C36H21N3O and a molecular weight of 511.58 g/mol. Its IUPAC name is 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene.

Molecular Properties

Compound Name5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
PubChem CID154600868
Molecular FormulaC36H21N3O
Molecular Weight511.58 g/mol
Exact Mass511.17
IUPAC Name5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2ccc2oc4cc5ccccc5cc4c23)cc1
InChIInChI=1S/C36H21N3O/c1-2-10-22(11-3-1)34-27-18-19-31-33(28-20-23-12-4-5-13-24(23)21-32(28)40-31)35(27)38-36(37-34)39-29-16-8-6-14-25(29)26-15-7-9-17-30(26)39/h1-21H
InChIKeyTWJBPANKIGDVNI-UHFFFAOYSA-N
XLogP9.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene with MolForge

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Related Compounds

22-[4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidin-2-yl]-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 126621743
15-phenyl-13-(10-phenylbenzo[c]carbazol-7-yl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371134
2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 122497106
2-benzo[c]carbazol-7-yl-5-(4-phenylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
CID 146375723
10-(4-phenylbenzo[h]quinazolin-2-yl)-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 167271816
15-(5-naphthalen-2-ylindolo[3,2-b]carbazol-11-yl)-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 170371341
4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
CID 121402040
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
7-phenyl-10-[9-(4-phenylbenzo[h]quinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 155153254
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 142569844
7-(15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-b]carbazole
CID 171050951

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
The IUPAC name of 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene (CID 154600868) is 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene.
What is the SMILES notation for 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
The canonical SMILES for 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2ccc2oc4cc5ccccc5cc4c23)cc1.
What is the InChIKey of 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
The InChIKey is TWJBPANKIGDVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O/c1-2-10-22(11-3-1)34-27-18-19-31-33(28-20-23-12-4-5-13-24(23)21-32(28)40-31)35(27)38-36(37-34)39-29-16-8-6-14-25(29)26-15-7-9-17-30(26)39/h1-21H.
What are the key properties of 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene has a molecular weight of 511.58 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene is sourced from PubChem (CID 154600868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).