7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium)

C148H215N5O2S2Y2-4 — CID 157326857

IUPAC7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[H]/[C-]=C/C=[C-]/c1ccc(/[C-]=C/C=[C-]/[H])c2n[nH]nc12.[Y].[Y].c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)ccc1[nH]c3ccccc3c12.c1ccc2c(c1)ccc1oc3ccccc3c12.c1ccc2c(c1)ccc1sc3ccccc3c12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C16H11N.C16H10O.C16H10S.C14H9N3.C12H9N.C12H8O.C12H8S.25C2H6.2Y/c3*1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-3-5-7-11-9-10-12(8-6-4-2)14-13(11)15-17-16-14;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;25*1-2;;/h1-10,17H;2*1-10H;1-6,9-10H,(H,15,16,17);1-8,13H;2*1-8H;25*1-2H3;;/q;;;-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyMKHZTSZZWHTQCU-UHFFFAOYSA-N
MW2338.33 g/mol
LogP53.38
Rot. Bonds4

About 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium)

7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium) (PubChem CID 157326857) has the molecular formula C148H215N5O2S2Y2-4 and a molecular weight of 2338.33 g/mol. Its IUPAC name is 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium).

Molecular Properties

Compound Name7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium)
PubChem CID157326857
Molecular FormulaC148H215N5O2S2Y2-4
Molecular Weight2338.33 g/mol
Exact Mass2336.45
IUPAC Name7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[H]/[C-]=C/C=[C-]/c1ccc(/[C-]=C/C=[C-]/[H])c2n[nH]nc12.[Y].[Y].c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)ccc1[nH]c3ccccc3c12.c1ccc2c(c1)ccc1oc3ccccc3c12.c1ccc2c(c1)ccc1sc3ccccc3c12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C16H11N.C16H10O.C16H10S.C14H9N3.C12H9N.C12H8O.C12H8S.25C2H6.2Y/c3*1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-3-5-7-11-9-10-12(8-6-4-2)14-13(11)15-17-16-14;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;25*1-2;;/h1-10,17H;2*1-10H;1-6,9-10H,(H,15,16,17);1-8,13H;2*1-8H;25*1-2H3;;/q;;;-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyMKHZTSZZWHTQCU-UHFFFAOYSA-N
XLogP53.38
TPSA99.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002338.33
LogP ≤ 553.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-Phenyl-5,18-bis(8-phenyldibenzofuran-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004104
6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine
CID 58113333
2-[9-(4-Dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole
CID 58511017
2-[9-(4-Dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole
CID 58511094
3-Dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87916583
4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline
CID 89492073
N-(4-dibenzofuran-1-ylphenyl)-4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)-N-phenylaniline
CID 89492202
4,34-Bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene
CID 89958514
4,34-Di(dibenzothiophen-4-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene
CID 89958516
9-Phenyl-3-[14-(9-phenylcarbazol-3-yl)-11-oxa-4,18-dithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole
CID 89958533
16,22-Di(dibenzothiophen-4-yl)-12,26-diphenyl-19-oxa-12,26-diazanonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene
CID 89958550
9-Phenyl-3-[15-(9-phenylcarbazol-3-yl)-6,25-dioxa-31-thiaoctacyclo[15.14.0.02,14.05,13.07,12.018,30.021,29.022,26]hentriaconta-1,3,5(13),7,9,11,14,16,18,20,22(26),27,29-tridecaen-20-yl]carbazole
CID 89958585

Frequently Asked Questions

What is the IUPAC name of 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium)?
The IUPAC name of 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium) (CID 157326857) is 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium).
What is the SMILES notation for 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium)?
The canonical SMILES for 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[H]/[C-]=C/C=[C-]/c1ccc(/[C-]=C/C=[C-]/[H])c2n[nH]nc12.[Y].[Y].c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)ccc1[nH]c3ccccc3c12.c1ccc2c(c1)ccc1oc3ccccc3c12.c1ccc2c(c1)ccc1sc3ccccc3c12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium)?
The InChIKey is MKHZTSZZWHTQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N.C16H10O.C16H10S.C14H9N3.C12H9N.C12H8O.C12H8S.25C2H6.2Y/c3*1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-3-5-7-11-9-10-12(8-6-4-2)14-13(11)15-17-16-14;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;25*1-2;;/h1-10,17H;2*1-10H;1-6,9-10H,(H,15,16,17);1-8,13H;2*1-8H;25*1-2H3;;/q;;;-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium)?
7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium) has a molecular weight of 2338.33 g/mol, XLogP of 53.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[c]carbazole;4,7-bis(buta-1,3-dienyl)-2H-benzotriazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,1-b][1]benzothiole;bis(yttrium) is sourced from PubChem (CID 157326857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).