10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C47H32N2Se2 — CID 153440642

IUPAC10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)N(c1c2ccccc2c(N2c4ccccc4[Se]c4ccccc42)c2ccccc12)c1ccccc1[Se]3
InChIInChI=1S/C47H32N2Se2/c1-47(2)35-20-8-7-15-29(35)34-27-44-40(28-36(34)47)49(39-23-11-14-26-43(39)51-44)46-32-18-5-3-16-30(32)45(31-17-4-6-19-33(31)46)48-37-21-9-12-24-41(37)50-42-25-13-10-22-38(42)48/h3-28H,1-2H3
InChIKeyGGBLZUINJZUSKC-UHFFFAOYSA-N
MW782.71 g/mol
LogP9.18
Rot. Bonds2

About 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 153440642) has the molecular formula C47H32N2Se2 and a molecular weight of 782.71 g/mol. Its IUPAC name is 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID153440642
Molecular FormulaC47H32N2Se2
Molecular Weight782.71 g/mol
Exact Mass784.09
IUPAC Name10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)N(c1c2ccccc2c(N2c4ccccc4[Se]c4ccccc42)c2ccccc12)c1ccccc1[Se]3
InChIInChI=1S/C47H32N2Se2/c1-47(2)35-20-8-7-15-29(35)34-27-44-40(28-36(34)47)49(39-23-11-14-26-43(39)51-44)46-32-18-5-3-16-30(32)45(31-17-4-6-19-33(31)46)48-37-21-9-12-24-41(37)50-42-25-13-10-22-38(42)48/h3-28H,1-2H3
InChIKeyGGBLZUINJZUSKC-UHFFFAOYSA-N
XLogP9.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.71
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

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CID 59195441
10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351
10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59195849
10,10,14,14-tetramethyl-21-[5-(10,10,14,14-tetramethyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-yl)naphthalen-1-yl]-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459631
2,2,12,12,20,20-hexamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 129305162
11-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 88549554
5-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]-10-methylphenazine
CID 59195797
10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine
CID 59196394
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
5,5,22,22,29,29-hexamethyl-16,35-diphenyl-1,9,16,35-tetrazaundecacyclo[28.11.1.19,17.02,28.04,26.06,25.08,23.010,15.034,42.036,41.021,43]tritetraconta-2(28),3,6,8(23),10,12,14,17,19,21(43),24,26,30(42),31,33,36,38,40-octadecaene
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10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine
CID 59196124

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 153440642) is 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2cc3c(cc21)N(c1c2ccccc2c(N2c4ccccc4[Se]c4ccccc42)c2ccccc12)c1ccccc1[Se]3.
What is the InChIKey of 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is GGBLZUINJZUSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2Se2/c1-47(2)35-20-8-7-15-29(35)34-27-44-40(28-36(34)47)49(39-23-11-14-26-43(39)51-44)46-32-18-5-3-16-30(32)45(31-17-4-6-19-33(31)46)48-37-21-9-12-24-41(37)50-42-25-13-10-22-38(42)48/h3-28H,1-2H3.
What are the key properties of 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 782.71 g/mol, XLogP of 9.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-14-(10-phenoselenazin-10-ylanthracen-9-yl)-21-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 153440642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).