5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole

C64H38N8 — CID 58029103

IUPAC5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c45)n3)ccc2c1
InChIInChI=1S/C64H38N8/c1-5-17-43-35-47(29-25-39(43)13-1)59-65-60(48-30-26-40-14-2-6-18-44(40)36-48)68-63(67-59)71-55-24-12-10-22-53(55)57-56(71)34-33-52-51-21-9-11-23-54(51)72(58(52)57)64-69-61(49-31-27-41-15-3-7-19-45(41)37-49)66-62(70-64)50-32-28-42-16-4-8-20-46(42)38-50/h1-38H
InChIKeyMCXVRGRMETURQQ-UHFFFAOYSA-N
MW919.06 g/mol
LogP15.53
Rot. Bonds6

About 5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole

5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole (PubChem CID 58029103) has the molecular formula C64H38N8 and a molecular weight of 919.06 g/mol. Its IUPAC name is 5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
PubChem CID58029103
Molecular FormulaC64H38N8
Molecular Weight919.06 g/mol
Exact Mass918.32
IUPAC Name5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c45)n3)ccc2c1
InChIInChI=1S/C64H38N8/c1-5-17-43-35-47(29-25-39(43)13-1)59-65-60(48-30-26-40-14-2-6-18-44(40)36-48)68-63(67-59)71-55-24-12-10-22-53(55)57-56(71)34-33-52-51-21-9-11-23-54(51)72(58(52)57)64-69-61(49-31-27-41-15-3-7-19-45(41)37-49)66-62(70-64)50-32-28-42-16-4-8-20-46(42)38-50/h1-38H
InChIKeyMCXVRGRMETURQQ-UHFFFAOYSA-N
XLogP15.53
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.06
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole
CID 58029076
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913725
7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166919043
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 59365869
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 170268493
9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 59194526
26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 134221324
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037225
5-naphthalen-2-yl-12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240395
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156531291
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 88917516

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole (CID 58029103) is 5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c45)n3)ccc2c1.
What is the InChIKey of 5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?
The InChIKey is MCXVRGRMETURQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N8/c1-5-17-43-35-47(29-25-39(43)13-1)59-65-60(48-30-26-40-14-2-6-18-44(40)36-48)68-63(67-59)71-55-24-12-10-22-53(55)57-56(71)34-33-52-51-21-9-11-23-54(51)72(58(52)57)64-69-61(49-31-27-41-15-3-7-19-45(41)37-49)66-62(70-64)50-32-28-42-16-4-8-20-46(42)38-50/h1-38H.
What are the key properties of 5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?
5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole has a molecular weight of 919.06 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 58029103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).