11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole

C59H46FN5 — CID 167267840

IUPAC11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole
SMILESCC1C(C)(C)c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5nc(-c6ccccc6)nc(-c6ccc(F)cc6)n5)cc4)c3)c2C1(C)C
InChIInChI=1S/C59H46FN5/c1-36-58(2,3)49-22-14-21-44(54(49)59(36,4)5)41-18-13-17-40(33-41)37-27-31-43(32-28-37)64-50-23-11-9-19-45(50)47-35-53-48(34-52(47)64)46-20-10-12-24-51(46)65(53)57-62-55(38-15-7-6-8-16-38)61-56(63-57)39-25-29-42(60)30-26-39/h6-36H,1-5H3
InChIKeyWGSQYTAYQUKUGR-UHFFFAOYSA-N
MW844.05 g/mol
LogP15.08
Rot. Bonds6

About 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole

11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole (PubChem CID 167267840) has the molecular formula C59H46FN5 and a molecular weight of 844.05 g/mol. Its IUPAC name is 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole
PubChem CID167267840
Molecular FormulaC59H46FN5
Molecular Weight844.05 g/mol
Exact Mass843.37
IUPAC Name11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole
SMILESCC1C(C)(C)c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5nc(-c6ccccc6)nc(-c6ccc(F)cc6)n5)cc4)c3)c2C1(C)C
InChIInChI=1S/C59H46FN5/c1-36-58(2,3)49-22-14-21-44(54(49)59(36,4)5)41-18-13-17-40(33-41)37-27-31-43(32-28-37)64-50-23-11-9-19-45(50)47-35-53-48(34-52(47)64)46-20-10-12-24-51(46)65(53)57-62-55(38-15-7-6-8-16-38)61-56(63-57)39-25-29-42(60)30-26-39/h6-36H,1-5H3
InChIKeyWGSQYTAYQUKUGR-UHFFFAOYSA-N
XLogP15.08
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.05
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-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

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole (CID 167267840) is 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole is CC1C(C)(C)c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5nc(-c6ccccc6)nc(-c6ccc(F)cc6)n5)cc4)c3)c2C1(C)C.
What is the InChIKey of 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole?
The InChIKey is WGSQYTAYQUKUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46FN5/c1-36-58(2,3)49-22-14-21-44(54(49)59(36,4)5)41-18-13-17-40(33-41)37-27-31-43(32-28-37)64-50-23-11-9-19-45(50)47-35-53-48(34-52(47)64)46-20-10-12-24-51(46)65(53)57-62-55(38-15-7-6-8-16-38)61-56(63-57)39-25-29-42(60)30-26-39/h6-36H,1-5H3.
What are the key properties of 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole?
11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole has a molecular weight of 844.05 g/mol, XLogP of 15.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-[4-[3-(1,1,2,3,3-pentamethyl-2H-inden-4-yl)phenyl]phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 167267840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).