10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine

C30H20BNSe — CID 58511431

IUPAC10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine
SMILESc1ccc(N2c3ccccc3B(c3ccc4[se]c5ccccc5c4c3)c3ccccc32)cc1
InChIInChI=1S/C30H20BNSe/c1-2-10-22(11-3-1)32-27-15-7-5-13-25(27)31(26-14-6-8-16-28(26)32)21-18-19-30-24(20-21)23-12-4-9-17-29(23)33-30/h1-20H
InChIKeyYZKVQMBLRJDYKD-UHFFFAOYSA-N
MW484.27 g/mol
LogP5.35
Rot. Bonds2

About 10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine

10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine (PubChem CID 58511431) has the molecular formula C30H20BNSe and a molecular weight of 484.27 g/mol. Its IUPAC name is 10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine.

Molecular Properties

Compound Name10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine
PubChem CID58511431
Molecular FormulaC30H20BNSe
Molecular Weight484.27 g/mol
Exact Mass485.09
IUPAC Name10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine
SMILESc1ccc(N2c3ccccc3B(c3ccc4[se]c5ccccc5c4c3)c3ccccc32)cc1
InChIInChI=1S/C30H20BNSe/c1-2-10-22(11-3-1)32-27-15-7-5-13-25(27)31(26-14-6-8-16-28(26)32)21-18-19-30-24(20-21)23-12-4-9-17-29(23)33-30/h1-20H
InChIKeyYZKVQMBLRJDYKD-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.27
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-10-(9-phenylcarbazol-3-yl)benzo[b][1,4]benzazaborinine
CID 58511406
10-(4-carbazol-9-ylphenyl)-5-phenylbenzo[b][1,4]benzazaborinine
CID 58511372
8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 162505107
15-N,12,22-tri(dibenzoselenophen-3-yl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 164938105
5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
CID 123463711
25,29,42-triphenyl-12-oxa-21,38-diselena-25,29,42-triaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31(39),32,34,36,40,43,45,47-henicosaene
CID 164760124
12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene
CID 123419959
8,18-diphenyl-8,18-diaza-1-boraheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene
CID 162712122
5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine
CID 158727367
11-fluoro-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 168836129
13,32-diphenyl-41-selena-13,19,26,32-tetraza-1,6-diboraundecacyclo[25.11.1.12,5.16,14.03,26.04,19.07,12.020,25.031,39.033,38.018,40]hentetraconta-2,4,7,9,11,14(40),15,17,20,22,24,27,29,31(39),33,35,37-heptadecaene
CID 169298438
14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene
CID 149199847

Frequently Asked Questions

What is the IUPAC name of 10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine?
The IUPAC name of 10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine (CID 58511431) is 10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine.
What is the SMILES notation for 10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine?
The canonical SMILES for 10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine is c1ccc(N2c3ccccc3B(c3ccc4[se]c5ccccc5c4c3)c3ccccc32)cc1.
What is the InChIKey of 10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine?
The InChIKey is YZKVQMBLRJDYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BNSe/c1-2-10-22(11-3-1)32-27-15-7-5-13-25(27)31(26-14-6-8-16-28(26)32)21-18-19-30-24(20-21)23-12-4-9-17-29(23)33-30/h1-20H.
What are the key properties of 10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine?
10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine has a molecular weight of 484.27 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine is sourced from PubChem (CID 58511431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).