7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole

C30H16N4O2 — CID 163495762

IUPAC7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1cccc2c1oc1c2nc2cccnn21
InChIInChI=1S/C30H16N4O2/c1-3-10-22-17(7-1)20-15-21-18-8-2-4-12-25(18)35-26(21)16-24(20)33(22)23-11-5-9-19-28-30(36-29(19)23)34-27(32-28)13-6-14-31-34/h1-16H
InChIKeyCQNZFSQAIJVXMI-UHFFFAOYSA-N
MW464.48 g/mol
LogP7.63
Rot. Bonds1

About 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole

7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 163495762) has the molecular formula C30H16N4O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID163495762
Molecular FormulaC30H16N4O2
Molecular Weight464.48 g/mol
Exact Mass464.13
IUPAC Name7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1cccc2c1oc1c2nc2cccnn21
InChIInChI=1S/C30H16N4O2/c1-3-10-22-17(7-1)20-15-21-18-8-2-4-12-25(18)35-26(21)16-24(20)33(22)23-11-5-9-19-28-30(36-29(19)23)34-27(32-28)13-6-14-31-34/h1-16H
InChIKeyCQNZFSQAIJVXMI-UHFFFAOYSA-N
XLogP7.63
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.48
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

10-dibenzofuran-4-yl-21-oxa-10,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-20-one
CID 118248450
11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole
CID 163940519
11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole
CID 118488526
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
5-dibenzofuran-4-yl-7-(4-naphthalen-1-ylphenyl)indolo[2,3-b]carbazole
CID 167029628
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639

Frequently Asked Questions

What is the IUPAC name of 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole (CID 163495762) is 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1cccc2c1oc1c2nc2cccnn21.
What is the InChIKey of 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is CQNZFSQAIJVXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N4O2/c1-3-10-22-17(7-1)20-15-21-18-8-2-4-12-25(18)35-26(21)16-24(20)33(22)23-11-5-9-19-28-30(36-29(19)23)34-27(32-28)13-6-14-31-34/h1-16H.
What are the key properties of 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole?
7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 464.48 g/mol, XLogP of 7.63, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 163495762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).