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

C72H59N5 — CID 167269416

IUPAC11-[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
SMILESCC1CC(C)(C)c2c(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(C9CC=CC=C9c9ccccc9)n8)c7c65)c4)c3)cccc2C1(C)C
InChIInChI=1S/C72H59N5/c1-46-45-71(2,3)65-56(33-20-34-62(65)72(46,4)5)53-27-18-25-51(43-53)52-26-19-28-54(44-52)76-63-35-16-14-30-57(63)59-41-42-60-58-31-15-17-36-64(58)77(67(60)66(59)76)70-74-68(50-39-37-48(38-40-50)47-21-8-6-9-22-47)73-69(75-70)61-32-13-12-29-55(61)49-23-10-7-11-24-49/h6-31,33-44,46,61H,32,45H2,1-5H3
InChIKeyQDHRCSXQRRNBIG-UHFFFAOYSA-N
MW994.30 g/mol
LogP18.46
Rot. Bonds8

About 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

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 (PubChem CID 167269416) has the molecular formula C72H59N5 and a molecular weight of 994.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[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
PubChem CID167269416
Molecular FormulaC72H59N5
Molecular Weight994.30 g/mol
Exact Mass993.48
IUPAC Name11-[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
SMILESCC1CC(C)(C)c2c(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(C9CC=CC=C9c9ccccc9)n8)c7c65)c4)c3)cccc2C1(C)C
InChIInChI=1S/C72H59N5/c1-46-45-71(2,3)65-56(33-20-34-62(65)72(46,4)5)53-27-18-25-51(43-53)52-26-19-28-54(44-52)76-63-35-16-14-30-57(63)59-41-42-60-58-31-15-17-36-64(58)77(67(60)66(59)76)70-74-68(50-39-37-48(38-40-50)47-21-8-6-9-22-47)73-69(75-70)61-32-13-12-29-55(61)49-23-10-7-11-24-49/h6-31,33-44,46,61H,32,45H2,1-5H3
InChIKeyQDHRCSXQRRNBIG-UHFFFAOYSA-N
XLogP18.46
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.30
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(C)(C)c2c(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(C9CC=CC=C9c9ccccc9)n8)c7c65)c4)c3)cccc2C1(C)C.
What is the InChIKey of 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?
The InChIKey is QDHRCSXQRRNBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H59N5/c1-46-45-71(2,3)65-56(33-20-34-62(65)72(46,4)5)53-27-18-25-51(43-53)52-26-19-28-54(44-52)76-63-35-16-14-30-57(63)59-41-42-60-58-31-15-17-36-64(58)77(67(60)66(59)76)70-74-68(50-39-37-48(38-40-50)47-21-8-6-9-22-47)73-69(75-70)61-32-13-12-29-55(61)49-23-10-7-11-24-49/h6-31,33-44,46,61H,32,45H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 994.30 g/mol, XLogP of 18.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167269416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).