7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole

C82H58F6N4O2 — CID 123546009

IUPAC7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole
SMILESCCCC1(CCC)c2cc(-c3cccc(-n4c5c(c6ccccc64)C=C(c4cccc(OC(F)=C(F)F)c4)CC5)c3)ccc2-c2cc3c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8cccc(OC(F)=C(F)F)c8)ccc76)c5)ccc4n(-c4ccncc4)c3cc21
InChIInChI=1S/C82H58F6N4O2/c1-3-35-82(36-4-2)70-46-56(50-14-10-18-59(40-50)92-73-24-8-6-22-64(73)67-44-55(28-31-75(67)92)52-16-12-20-61(42-52)94-81(88)79(85)86)25-29-62(70)65-47-69-68-45-53(26-32-76(68)90(77(69)48-71(65)82)57-33-37-89-38-34-57)49-13-9-17-58(39-49)91-72-23-7-5-21-63(72)66-43-54(27-30-74(66)91)51-15-11-19-60(41-51)93-80(87)78(83)84/h5-27,29-30,32-34,37-48H,3-4,28,31,35-36H2,1-2H3
InChIKeyDOLIMRCQEUUMEN-UHFFFAOYSA-N
MW1245.38 g/mol
LogP23.40
Rot. Bonds15

About 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole

7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole (PubChem CID 123546009) has the molecular formula C82H58F6N4O2 and a molecular weight of 1245.38 g/mol. Its IUPAC name is 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole
PubChem CID123546009
Molecular FormulaC82H58F6N4O2
Molecular Weight1245.38 g/mol
Exact Mass1244.45
IUPAC Name7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole
SMILESCCCC1(CCC)c2cc(-c3cccc(-n4c5c(c6ccccc64)C=C(c4cccc(OC(F)=C(F)F)c4)CC5)c3)ccc2-c2cc3c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8cccc(OC(F)=C(F)F)c8)ccc76)c5)ccc4n(-c4ccncc4)c3cc21
InChIInChI=1S/C82H58F6N4O2/c1-3-35-82(36-4-2)70-46-56(50-14-10-18-59(40-50)92-73-24-8-6-22-64(73)67-44-55(28-31-75(67)92)52-16-12-20-61(42-52)94-81(88)79(85)86)25-29-62(70)65-47-69-68-45-53(26-32-76(68)90(77(69)48-71(65)82)57-33-37-89-38-34-57)49-13-9-17-58(39-49)91-72-23-7-5-21-63(72)66-43-54(27-30-74(66)91)51-15-11-19-60(41-51)93-80(87)78(83)84/h5-27,29-30,32-34,37-48H,3-4,28,31,35-36H2,1-2H3
InChIKeyDOLIMRCQEUUMEN-UHFFFAOYSA-N
XLogP23.40
TPSA46.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.38
LogP ≤ 523.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-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

1-Benzyl-6-[1-[[3-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole
CID 56851768
1-[[3-(Trifluoromethoxy)phenyl]methyl]-6-[1-[[3-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole
CID 56851724
1-[(4-Fluorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
CID 57026364
9-[2-Fluoro-4-[10-(3-methoxyphenyl)anthracen-9-yl]phenyl]-5,7-diphenylpyrido[3,4-b]indole
CID 88356645
N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine
CID 90164118
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546733
7,7-Dipropyl-5-pyridin-4-yl-2,9-bis[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]indeno[2,1-b]carbazole
CID 126624356
3-[5-[[8-[(3-Methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129185761
3-[5-[[8-[(3-Methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;dihydrochloride
CID 129185944
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine
CID 129193442
2-[[1-Butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 129193449
2-[[1-Butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 129193474

Frequently Asked Questions

What is the IUPAC name of 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole (CID 123546009) is 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole is CCCC1(CCC)c2cc(-c3cccc(-n4c5c(c6ccccc64)C=C(c4cccc(OC(F)=C(F)F)c4)CC5)c3)ccc2-c2cc3c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8cccc(OC(F)=C(F)F)c8)ccc76)c5)ccc4n(-c4ccncc4)c3cc21.
What is the InChIKey of 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole?
The InChIKey is DOLIMRCQEUUMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58F6N4O2/c1-3-35-82(36-4-2)70-46-56(50-14-10-18-59(40-50)92-73-24-8-6-22-64(73)67-44-55(28-31-75(67)92)52-16-12-20-61(42-52)94-81(88)79(85)86)25-29-62(70)65-47-69-68-45-53(26-32-76(68)90(77(69)48-71(65)82)57-33-37-89-38-34-57)49-13-9-17-58(39-49)91-72-23-7-5-21-63(72)66-43-54(27-30-74(66)91)51-15-11-19-60(41-51)93-80(87)78(83)84/h5-27,29-30,32-34,37-48H,3-4,28,31,35-36H2,1-2H3.
What are the key properties of 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole?
7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole has a molecular weight of 1245.38 g/mol, XLogP of 23.40, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole is sourced from PubChem (CID 123546009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).