12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole

C38H21N3O2 — CID 170371290

IUPAC12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C38H21N3O2/c1-2-11-23(12-3-1)33-37-34(32-24-13-5-4-10-22(24)18-21-31(32)43-37)40-38(39-33)41-29-16-8-6-14-25(29)27-19-20-28-26-15-7-9-17-30(26)42-36(28)35(27)41/h1-21H
InChIKeyBQTHPWZFBBQCQF-UHFFFAOYSA-N
MW551.61 g/mol
LogP10.19
Rot. Bonds2

About 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole

12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 170371290) has the molecular formula C38H21N3O2 and a molecular weight of 551.61 g/mol. Its IUPAC name is 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID170371290
Molecular FormulaC38H21N3O2
Molecular Weight551.61 g/mol
Exact Mass551.16
IUPAC Name12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C38H21N3O2/c1-2-11-23(12-3-1)33-37-34(32-24-13-5-4-10-22(24)18-21-31(32)43-37)40-38(39-33)41-29-16-8-6-14-25(29)27-19-20-28-26-15-7-9-17-30(26)42-36(28)35(27)41/h1-21H
InChIKeyBQTHPWZFBBQCQF-UHFFFAOYSA-N
XLogP10.19
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 142569844
15-phenyl-18-(4-phenylquinazolin-2-yl)-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 126679145
12-(8-naphthalen-1-yl-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-a]carbazole
CID 170371922
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
12-(4-naphtho[1,2-b][1]benzofuran-10-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 156564433
2-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155283266
2-(4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaen-15-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162770220
24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679609
12-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 130333810
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449
2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163664957

Frequently Asked Questions

What is the IUPAC name of 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole (CID 170371290) is 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3c2oc2ccc4ccccc4c23)cc1.
What is the InChIKey of 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is BQTHPWZFBBQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3O2/c1-2-11-23(12-3-1)33-37-34(32-24-13-5-4-10-22(24)18-21-31(32)43-37)40-38(39-33)41-29-16-8-6-14-25(29)27-19-20-28-26-15-7-9-17-30(26)42-36(28)35(27)41/h1-21H.
What are the key properties of 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole?
12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 551.61 g/mol, XLogP of 10.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(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-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 170371290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).