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

C65H41NO — CID 155007997

IUPAC12,12-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
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5c6ccccc6c(-c6ccc7oc8cc9c%10ccccc%10c%10ccccc%10c9cc8c7c6)c6ccccc56)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C65H41NO/c1-65(2)57-27-15-14-22-45(57)50-30-31-51-54-34-38(28-32-58(54)66(64(51)63(50)65)40-16-4-3-5-17-40)61-46-23-10-12-25-48(46)62(49-26-13-11-24-47(49)61)39-29-33-59-55(35-39)56-36-52-43-20-8-6-18-41(43)42-19-7-9-21-44(42)53(52)37-60(56)67-59/h3-37H,1-2H3
InChIKeyBPEZGIIFGNQWEZ-UHFFFAOYSA-N
MW852.05 g/mol
LogP18.09
Rot. Bonds3

About 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

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 (PubChem CID 155007997) has the molecular formula C65H41NO and a molecular weight of 852.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12,12-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
PubChem CID155007997
Molecular FormulaC65H41NO
Molecular Weight852.05 g/mol
Exact Mass851.32
IUPAC Name12,12-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
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5c6ccccc6c(-c6ccc7oc8cc9c%10ccccc%10c%10ccccc%10c9cc8c7c6)c6ccccc56)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C65H41NO/c1-65(2)57-27-15-14-22-45(57)50-30-31-51-54-34-38(28-32-58(54)66(64(51)63(50)65)40-16-4-3-5-17-40)61-46-23-10-12-25-48(46)62(49-26-13-11-24-47(49)61)39-29-33-59-55(35-39)56-36-52-43-20-8-6-18-41(43)42-19-7-9-21-44(42)53(52)37-60(56)67-59/h3-37H,1-2H3
InChIKeyBPEZGIIFGNQWEZ-UHFFFAOYSA-N
XLogP18.09
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 518.09
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-(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 with MolForge

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Related Compounds

8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
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
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 164741757
15-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 163892460
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
15,15-dimethyl-12-(4-triphenylen-2-ylphenyl)-24-oxa-12-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 118892015
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc3c4cc(-c5c6ccccc6c(-c6ccc7oc8cc9c%10ccccc%10c%10ccccc%10c9cc8c7c6)c6ccccc56)ccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 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?
The InChIKey is BPEZGIIFGNQWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO/c1-65(2)57-27-15-14-22-45(57)50-30-31-51-54-34-38(28-32-58(54)66(64(51)63(50)65)40-16-4-3-5-17-40)61-46-23-10-12-25-48(46)62(49-26-13-11-24-47(49)61)39-29-33-59-55(35-39)56-36-52-43-20-8-6-18-41(43)42-19-7-9-21-44(42)53(52)37-60(56)67-59/h3-37H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 852.05 g/mol, XLogP of 18.09, 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-(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 is sourced from PubChem (CID 155007997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).