11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C66H53N5 — CID 167268694

IUPAC11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESCC1CC(C)(C)c2c(-c3ccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7c65)c4)cc3)cccc2C1(C)C
InChIInChI=1S/C66H53N5/c1-42-41-65(2,3)59-51(26-17-27-56(59)66(42,4)5)46-34-30-45(31-35-46)49-22-16-23-50(40-49)70-57-28-14-12-24-52(57)54-38-39-55-53-25-13-15-29-58(53)71(61(55)60(54)70)64-68-62(47-20-10-7-11-21-47)67-63(69-64)48-36-32-44(33-37-48)43-18-8-6-9-19-43/h6-40,42H,41H2,1-5H3
InChIKeyCAOMCBXYHUOTBG-UHFFFAOYSA-N
MW916.19 g/mol
LogP17.00
Rot. Bonds7

About 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 167268694) has the molecular formula C66H53N5 and a molecular weight of 916.19 g/mol. Its IUPAC name is 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID167268694
Molecular FormulaC66H53N5
Molecular Weight916.19 g/mol
Exact Mass915.43
IUPAC Name11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESCC1CC(C)(C)c2c(-c3ccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7c65)c4)cc3)cccc2C1(C)C
InChIInChI=1S/C66H53N5/c1-42-41-65(2,3)59-51(26-17-27-56(59)66(42,4)5)46-34-30-45(31-35-46)49-22-16-23-50(40-49)70-57-28-14-12-24-52(57)54-38-39-55-53-25-13-15-29-58(53)71(61(55)60(54)70)64-68-62(47-20-10-7-11-21-47)67-63(69-64)48-36-32-44(33-37-48)43-18-8-6-9-19-43/h6-40,42H,41H2,1-5H3
InChIKeyCAOMCBXYHUOTBG-UHFFFAOYSA-N
XLogP17.00
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.19
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]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-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 167269084
7-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 167269095
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole
CID 167268786
11-[4-[4-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167268016
11-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-(2-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167269416
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole
CID 167268040
12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole
CID 167267925
11-(3-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole
CID 167268793
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole
CID 167268785
11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167268838
11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167203855

Frequently Asked Questions

What is the IUPAC name of 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 167268694) is 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is CC1CC(C)(C)c2c(-c3ccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7c65)c4)cc3)cccc2C1(C)C.
What is the InChIKey of 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is CAOMCBXYHUOTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H53N5/c1-42-41-65(2,3)59-51(26-17-27-56(59)66(42,4)5)46-34-30-45(31-35-46)49-22-16-23-50(40-49)70-57-28-14-12-24-52(57)54-38-39-55-53-25-13-15-29-58(53)71(61(55)60(54)70)64-68-62(47-20-10-7-11-21-47)67-63(69-64)48-36-32-44(33-37-48)43-18-8-6-9-19-43/h6-40,42H,41H2,1-5H3.
What are the key properties of 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 916.19 g/mol, XLogP of 17.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167268694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).