5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole

C48H50F6N2 — CID 102033935

IUPAC5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole
SMILESCCCCCCCCn1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c2cc3c(cc21)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1n3CCCCCCCC
InChIInChI=1S/C48H50F6N2/c1-3-5-7-9-11-13-27-55-43-25-19-35(33-15-21-37(22-16-33)47(49,50)51)29-39(43)41-32-46-42(31-45(41)55)40-30-36(34-17-23-38(24-18-34)48(52,53)54)20-26-44(40)56(46)28-14-12-10-8-6-4-2/h15-26,29-32H,3-14,27-28H2,1-2H3
InChIKeyJZMJUDNONUCXCD-UHFFFAOYSA-N
MW768.93 g/mol
LogP15.99
Rot. Bonds16

About 5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole

5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole (PubChem CID 102033935) has the molecular formula C48H50F6N2 and a molecular weight of 768.93 g/mol. Its IUPAC name is 5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole
PubChem CID102033935
Molecular FormulaC48H50F6N2
Molecular Weight768.93 g/mol
Exact Mass768.39
IUPAC Name5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole
SMILESCCCCCCCCn1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c2cc3c(cc21)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1n3CCCCCCCC
InChIInChI=1S/C48H50F6N2/c1-3-5-7-9-11-13-27-55-43-25-19-35(33-15-21-37(22-16-33)47(49,50)51)29-39(43)41-32-46-42(31-45(41)55)40-30-36(34-17-23-38(24-18-34)48(52,53)54)20-26-44(40)56(46)28-14-12-10-8-6-4-2/h15-26,29-32H,3-14,27-28H2,1-2H3
InChIKeyJZMJUDNONUCXCD-UHFFFAOYSA-N
XLogP15.99
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.93
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-2-(trifluoromethyl)-9H-carbazole
CID 49799223
2-Methyl-5-phenethyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44126272
2,8-dimethyl-5-[4-(trifluoromethyl)phenethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44126327
N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine
CID 147817227
Dextranase
CID 167312536
9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole
CID 71699739
9-Ethyl-3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]carbazole
CID 1744998
9-[[4-(1,2,3,4-Tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole
CID 71578978
1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 11291454
5,12-Dimethylindolo[3,2-c]carbazole
CID 44581118
9-(4-Methylphenyl)-2-phenylcarbazole
CID 72708123
2-benzyl-8-(3-methylphenyl)-5-octyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 118283203

Frequently Asked Questions

What is the IUPAC name of 5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole (CID 102033935) is 5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole is CCCCCCCCn1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c2cc3c(cc21)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1n3CCCCCCCC.
What is the InChIKey of 5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is JZMJUDNONUCXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50F6N2/c1-3-5-7-9-11-13-27-55-43-25-19-35(33-15-21-37(22-16-33)47(49,50)51)29-39(43)41-32-46-42(31-45(41)55)40-30-36(34-17-23-38(24-18-34)48(52,53)54)20-26-44(40)56(46)28-14-12-10-8-6-4-2/h15-26,29-32H,3-14,27-28H2,1-2H3.
What are the key properties of 5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole?
5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 768.93 g/mol, XLogP of 15.99, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dioctyl-2,8-bis[4-(trifluoromethyl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 102033935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).