4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene

C62H32Se2 — CID 156681718

IUPAC4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene
SMILESc1cc2c3c(cccc3c1)-c1c-2cc2c(ccc3c4cc5c(c(-c6cccc7c6[se]c6ccccc67)c4ccc23)-c2cccc3cccc-5c23)c1-c1cccc2c1[se]c1ccccc12
InChIInChI=1S/C62H32Se2/c1-3-25-53-37(15-1)43-19-9-23-47(61(43)63-53)57-41-29-27-36-35(49(41)31-51-39-17-5-11-33-13-7-21-45(55(33)39)59(51)57)28-30-42-50(36)32-52-40-18-6-12-34-14-8-22-46(56(34)40)60(52)58(42)48-24-10-20-44-38-16-2-4-26-54(38)64-62(44)48/h1-32H
InChIKeyFCKLRRRFTPWYET-UHFFFAOYSA-N
MW934.86 g/mol
LogP16.81
Rot. Bonds2

About 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene

4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene (PubChem CID 156681718) has the molecular formula C62H32Se2 and a molecular weight of 934.86 g/mol. Its IUPAC name is 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene.

Molecular Properties

Compound Name4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene
PubChem CID156681718
Molecular FormulaC62H32Se2
Molecular Weight934.86 g/mol
Exact Mass936.08
IUPAC Name4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene
SMILESc1cc2c3c(cccc3c1)-c1c-2cc2c(ccc3c4cc5c(c(-c6cccc7c6[se]c6ccccc67)c4ccc23)-c2cccc3cccc-5c23)c1-c1cccc2c1[se]c1ccccc12
InChIInChI=1S/C62H32Se2/c1-3-25-53-37(15-1)43-19-9-23-47(61(43)63-53)57-41-29-27-36-35(49(41)31-51-39-17-5-11-33-13-7-21-45(55(33)39)59(51)57)28-30-42-50(36)32-52-40-18-6-12-34-14-8-22-46(56(34)40)60(52)58(42)48-24-10-20-44-38-16-2-4-26-54(38)64-62(44)48/h1-32H
InChIKeyFCKLRRRFTPWYET-UHFFFAOYSA-N
XLogP16.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.86
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene with MolForge

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Related Compounds

CID 156681724
CID 156681724
3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene
CID 175811035
3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158253863
1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene
CID 158380957
hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9(24),10,12,14(23),15,17,19,21-dodecaene;hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene;hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene;pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene;triphenylene
CID 159976074
3-(27-isoquinolin-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)quinoline;methane
CID 160608354
6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048
4-[27-(4-cyano-2-trimethylsilylphenyl)-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl]-3-trimethylsilylbenzonitrile
CID 156667103
ethane;fluoranthene;triphenylene
CID 160720447
7,12-di(pyren-4-yl)benzo[k]fluoranthene
CID 123852618
undecacyclo[27.11.1.111,15.02,28.04,26.05,23.08,22.010,20.030,35.037,41.019,42]dotetraconta-1(40),2(28),3,5(23),6,8,10(20),11,13,15(42),16,18,21,24,26,29(41),30,32,34,36,38-henicosaene
CID 163913395
1,2-dinaphthalen-1-yl-3-phenylchrysene
CID 166134369

Frequently Asked Questions

What is the IUPAC name of 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene?
The IUPAC name of 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene (CID 156681718) is 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene.
What is the SMILES notation for 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene?
The canonical SMILES for 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene is c1cc2c3c(cccc3c1)-c1c-2cc2c(ccc3c4cc5c(c(-c6cccc7c6[se]c6ccccc67)c4ccc23)-c2cccc3cccc-5c23)c1-c1cccc2c1[se]c1ccccc12.
What is the InChIKey of 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene?
The InChIKey is FCKLRRRFTPWYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H32Se2/c1-3-25-53-37(15-1)43-19-9-23-47(61(43)63-53)57-41-29-27-36-35(49(41)31-51-39-17-5-11-33-13-7-21-45(55(33)39)59(51)57)28-30-42-50(36)32-52-40-18-6-12-34-14-8-22-46(56(34)40)60(52)58(42)48-24-10-20-44-38-16-2-4-26-54(38)64-62(44)48/h1-32H.
What are the key properties of 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene?
4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene has a molecular weight of 934.86 g/mol, XLogP of 16.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(27-dibenzoselenophen-4-yl-9-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5(23),6,8(22),9,11,13,15(38),16,18,20,24,27,29,31,33(37),34-nonadecaenyl)dibenzoselenophene is sourced from PubChem (CID 156681718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).