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

C69H45N5 — CID 168835058

IUPAC11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7-c7ccccc7)c6c54)n3)cc(-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C69H45N5/c1-6-23-46(24-7-1)51-43-52(55-34-17-16-33-54(55)47-25-8-2-9-26-47)45-53(44-51)68-70-67(50-31-14-5-15-32-50)71-69(72-68)74-62-39-21-19-36-58(62)60-42-41-59-57-35-18-20-38-61(57)73(65(59)66(60)74)63-40-22-37-56(48-27-10-3-11-28-48)64(63)49-29-12-4-13-30-49/h1-45H
InChIKeyPQLMDJCWRPORID-UHFFFAOYSA-N
MW944.15 g/mol
LogP17.73
Rot. Bonds9

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

11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 168835058) has the molecular formula C69H45N5 and a molecular weight of 944.15 g/mol. Its IUPAC name is 11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID168835058
Molecular FormulaC69H45N5
Molecular Weight944.15 g/mol
Exact Mass943.37
IUPAC Name11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7-c7ccccc7)c6c54)n3)cc(-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C69H45N5/c1-6-23-46(24-7-1)51-43-52(55-34-17-16-33-54(55)47-25-8-2-9-26-47)45-53(44-51)68-70-67(50-31-14-5-15-32-50)71-69(72-68)74-62-39-21-19-36-58(62)60-42-41-59-57-35-18-20-38-61(57)73(65(59)66(60)74)63-40-22-37-56(48-27-10-3-11-28-48)64(63)49-29-12-4-13-30-49/h1-45H
InChIKeyPQLMDJCWRPORID-UHFFFAOYSA-N
XLogP17.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.15
LogP ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[2-(3,5-diphenylphenyl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 175627738
5-(2,3-diphenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 168835041
11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 175616505
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 175627106
11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 158016221
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 167203592
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729444
11-(3-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[3-(3-phenylphenyl)phenyl]phenyl]-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 175616615

Frequently Asked Questions

What is the IUPAC name of 11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 168835058) is 11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7-c7ccccc7)c6c54)n3)cc(-c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of 11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is PQLMDJCWRPORID-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5/c1-6-23-46(24-7-1)51-43-52(55-34-17-16-33-54(55)47-25-8-2-9-26-47)45-53(44-51)68-70-67(50-31-14-5-15-32-50)71-69(72-68)74-62-39-21-19-36-58(62)60-42-41-59-57-35-18-20-38-61(57)73(65(59)66(60)74)63-40-22-37-56(48-27-10-3-11-28-48)64(63)49-29-12-4-13-30-49/h1-45H.
What are the key properties of 11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 944.15 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,3-diphenylphenyl)-12-[4-phenyl-6-[3-phenyl-5-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168835058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).