N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine

C69H46N6 — CID 167382466

IUPACN-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(N(c4ccccc4)c4ccc5c6ccc7c(c8ccccc8n7-c7ccccc7)c6n(-c6ccccc6)c5c4)c(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C69H46N6/c1-8-24-47(25-9-1)59-44-51(69-71-67(49-28-12-3-13-29-49)70-68(72-69)50-30-14-4-15-31-50)45-60(48-26-10-2-11-27-48)65(59)73(52-32-16-5-17-33-52)55-40-41-56-57-42-43-62-64(66(57)75(63(56)46-55)54-36-20-7-21-37-54)58-38-22-23-39-61(58)74(62)53-34-18-6-19-35-53/h1-46H
InChIKeyGSIKCICFJBFUQS-UHFFFAOYSA-N
MW959.17 g/mol
LogP17.87
Rot. Bonds10

About N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine

N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine (PubChem CID 167382466) has the molecular formula C69H46N6 and a molecular weight of 959.17 g/mol. Its IUPAC name is N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine.

Molecular Properties

Compound NameN-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine
PubChem CID167382466
Molecular FormulaC69H46N6
Molecular Weight959.17 g/mol
Exact Mass958.38
IUPAC NameN-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(N(c4ccccc4)c4ccc5c6ccc7c(c8ccccc8n7-c7ccccc7)c6n(-c6ccccc6)c5c4)c(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C69H46N6/c1-8-24-47(25-9-1)59-44-51(69-71-67(49-28-12-3-13-29-49)70-68(72-69)50-30-14-4-15-31-50)45-60(48-26-10-2-11-27-48)65(59)73(52-32-16-5-17-33-52)55-40-41-56-57-42-43-62-64(66(57)75(63(56)46-55)54-36-20-7-21-37-54)58-38-22-23-39-61(58)74(62)53-34-18-6-19-35-53/h1-46H
InChIKeyGSIKCICFJBFUQS-UHFFFAOYSA-N
XLogP17.87
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.17
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine with MolForge

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Related Compounds

12-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 146280424
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 146280664
N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine
CID 118528315
N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287921
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline
CID 164970211
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-10-[4-[4-phenyl-6-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 163726164
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287924
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
6-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 146280994
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine?
The IUPAC name of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine (CID 167382466) is N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine.
What is the SMILES notation for N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine?
The canonical SMILES for N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(N(c4ccccc4)c4ccc5c6ccc7c(c8ccccc8n7-c7ccccc7)c6n(-c6ccccc6)c5c4)c(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine?
The InChIKey is GSIKCICFJBFUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N6/c1-8-24-47(25-9-1)59-44-51(69-71-67(49-28-12-3-13-29-49)70-68(72-69)50-30-14-4-15-31-50)45-60(48-26-10-2-11-27-48)65(59)73(52-32-16-5-17-33-52)55-40-41-56-57-42-43-62-64(66(57)75(63(56)46-55)54-36-20-7-21-37-54)58-38-22-23-39-61(58)74(62)53-34-18-6-19-35-53/h1-46H.
What are the key properties of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine?
N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine has a molecular weight of 959.17 g/mol, XLogP of 17.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine is sourced from PubChem (CID 167382466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).