11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole

C71H46N2S2 — CID 88882609

IUPAC11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole
SMILESC=C1c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(-c2cc4sc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)-c5ccc(-c6ccccc6)cc5C7(C)C)cc4s2)ccc1n3-c1ccccc1
InChIInChI=1S/C71H46N2S2/c1-42-53-32-45(43-16-8-4-9-17-43)24-28-51(53)55-38-65-59(36-54(42)55)57-33-47(26-30-63(57)72(65)49-20-12-6-13-21-49)67-40-69-70(74-67)41-68(75-69)48-27-31-64-58(34-48)60-37-62-56(39-66(60)73(64)50-22-14-7-15-23-50)52-29-25-46(35-61(52)71(62,2)3)44-18-10-5-11-19-44/h4-41H,1H2,2-3H3
InChIKeyWJIPCLJKBBSSBY-UHFFFAOYSA-N
MW991.30 g/mol
LogP20.17
Rot. Bonds6

About 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole

11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole (PubChem CID 88882609) has the molecular formula C71H46N2S2 and a molecular weight of 991.30 g/mol. Its IUPAC name is 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole
PubChem CID88882609
Molecular FormulaC71H46N2S2
Molecular Weight991.30 g/mol
Exact Mass990.31
IUPAC Name11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole
SMILESC=C1c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(-c2cc4sc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)-c5ccc(-c6ccccc6)cc5C7(C)C)cc4s2)ccc1n3-c1ccccc1
InChIInChI=1S/C71H46N2S2/c1-42-53-32-45(43-16-8-4-9-17-43)24-28-51(53)55-38-65-59(36-54(42)55)57-33-47(26-30-63(57)72(65)49-20-12-6-13-21-49)67-40-69-70(74-67)41-68(75-69)48-27-31-64-58(34-48)60-37-62-56(39-66(60)73(64)50-22-14-7-15-23-50)52-29-25-46(35-61(52)71(62,2)3)44-18-10-5-11-19-44/h4-41H,1H2,2-3H3
InChIKeyWJIPCLJKBBSSBY-UHFFFAOYSA-N
XLogP20.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.30
LogP ≤ 520.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098891
6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole
CID 160758822
3-[9-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-9-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099006
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenyl-6-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-amine
CID 58384032
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole?
The IUPAC name of 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole (CID 88882609) is 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole?
The canonical SMILES for 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole is C=C1c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(-c2cc4sc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)-c5ccc(-c6ccccc6)cc5C7(C)C)cc4s2)ccc1n3-c1ccccc1.
What is the InChIKey of 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole?
The InChIKey is WJIPCLJKBBSSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N2S2/c1-42-53-32-45(43-16-8-4-9-17-43)24-28-51(53)55-38-65-59(36-54(42)55)57-33-47(26-30-63(57)72(65)49-20-12-6-13-21-49)67-40-69-70(74-67)41-68(75-69)48-27-31-64-58(34-48)60-37-62-56(39-66(60)73(64)50-22-14-7-15-23-50)52-29-25-46(35-61(52)71(62,2)3)44-18-10-5-11-19-44/h4-41H,1H2,2-3H3.
What are the key properties of 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole?
11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole has a molecular weight of 991.30 g/mol, XLogP of 20.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole is sourced from PubChem (CID 88882609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).