12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole

C63H39NO — CID 155008328

IUPAC12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5c6ccccc6c(-c6ccc7c(c6)oc6c8cccc9ccc%10cccc(c76)c%10c98)c6ccccc56)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C63H39NO/c1-63(2)52-25-11-10-18-41(52)46-31-32-47-51-34-38(29-33-53(51)64(61(47)60(46)63)40-16-4-3-5-17-40)55-42-19-6-8-21-44(42)56(45-22-9-7-20-43(45)55)39-28-30-48-54(35-39)65-62-50-24-13-15-37-27-26-36-14-12-23-49(59(48)62)57(36)58(37)50/h3-35H,1-2H3
InChIKeyNSVDTFFAHNFZJB-UHFFFAOYSA-N
MW826.01 g/mol
LogP17.53
Rot. Bonds3

About 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole

12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole (PubChem CID 155008328) has the molecular formula C63H39NO and a molecular weight of 826.01 g/mol. Its IUPAC name is 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole
PubChem CID155008328
Molecular FormulaC63H39NO
Molecular Weight826.01 g/mol
Exact Mass825.30
IUPAC Name12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5c6ccccc6c(-c6ccc7c(c6)oc6c8cccc9ccc%10cccc(c76)c%10c98)c6ccccc56)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C63H39NO/c1-63(2)52-25-11-10-18-41(52)46-31-32-47-51-34-38(29-33-53(51)64(61(47)60(46)63)40-16-4-3-5-17-40)55-42-19-6-8-21-44(42)56(45-22-9-7-20-43(45)55)39-28-30-48-54(35-39)65-62-50-24-13-15-37-27-26-36-14-12-23-49(59(48)62)57(36)58(37)50/h3-35H,1-2H3
InChIKeyNSVDTFFAHNFZJB-UHFFFAOYSA-N
XLogP17.53
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.01
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole with MolForge

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Related Compounds

12,12-dimethyl-8-[10-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole
CID 155007997
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
17-[10-(12,12-dimethylfluoreno[1,2-b][1]benzothiol-10-yl)anthracen-9-yl]-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
CID 155008336
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155008109
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
6,21-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182458
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene
CID 118545752
3,3-dimethyl-19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186048

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole (CID 155008328) is 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4cc(-c5c6ccccc6c(-c6ccc7c(c6)oc6c8cccc9ccc%10cccc(c76)c%10c98)c6ccccc56)ccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole?
The InChIKey is NSVDTFFAHNFZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NO/c1-63(2)52-25-11-10-18-41(52)46-31-32-47-51-34-38(29-33-53(51)64(61(47)60(46)63)40-16-4-3-5-17-40)55-42-19-6-8-21-44(42)56(45-22-9-7-20-43(45)55)39-28-30-48-54(35-39)65-62-50-24-13-15-37-27-26-36-14-12-23-49(59(48)62)57(36)58(37)50/h3-35H,1-2H3.
What are the key properties of 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole?
12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole has a molecular weight of 826.01 g/mol, XLogP of 17.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole is sourced from PubChem (CID 155008328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).