11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C35H23N3O — CID 134602168

IUPAC11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc5c6c(cccc6n4)-c4ccccc4O5)c3cc21
InChIInChI=1S/C35H23N3O/c1-35(2)26-14-6-3-10-20(26)24-18-25-21-11-4-7-16-29(21)38(30(25)19-27(24)35)34-36-28-15-9-13-23-22-12-5-8-17-31(22)39-33(37-34)32(23)28/h3-19H,1-2H3
InChIKeyIYXNMTDPJZGMLZ-UHFFFAOYSA-N
MW501.59 g/mol
LogP8.81
Rot. Bonds1

About 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 134602168) has the molecular formula C35H23N3O and a molecular weight of 501.59 g/mol. Its IUPAC name is 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
PubChem CID134602168
Molecular FormulaC35H23N3O
Molecular Weight501.59 g/mol
Exact Mass501.18
IUPAC Name11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc5c6c(cccc6n4)-c4ccccc4O5)c3cc21
InChIInChI=1S/C35H23N3O/c1-35(2)26-14-6-3-10-20(26)24-18-25-21-11-4-7-16-29(21)38(30(25)19-27(24)35)34-36-28-15-9-13-23-22-12-5-8-17-31(22)39-33(37-34)32(23)28/h3-19H,1-2H3
InChIKeyIYXNMTDPJZGMLZ-UHFFFAOYSA-N
XLogP8.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene with MolForge

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Related Compounds

11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 146413617
15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297667
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327260
9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 130327429
5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361885
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
CID 118502310
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297940
5-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118888370

Frequently Asked Questions

What is the IUPAC name of 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The IUPAC name of 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 134602168) is 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.
What is the SMILES notation for 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The canonical SMILES for 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc5c6c(cccc6n4)-c4ccccc4O5)c3cc21.
What is the InChIKey of 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The InChIKey is IYXNMTDPJZGMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3O/c1-35(2)26-14-6-3-10-20(26)24-18-25-21-11-4-7-16-29(21)38(30(25)19-27(24)35)34-36-28-15-9-13-23-22-12-5-8-17-31(22)39-33(37-34)32(23)28/h3-19H,1-2H3.
What are the key properties of 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 501.59 g/mol, XLogP of 8.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 134602168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).