12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole

C47H29N5 — CID 59365869

IUPAC12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4c32)cc1
InChIInChI=1S/C47H29N5/c1-2-16-36(17-3-1)51-41-20-10-8-18-37(41)39-26-27-40-38-19-9-11-21-42(38)52(44(40)43(39)51)47-49-45(34-24-22-30-12-4-6-14-32(30)28-34)48-46(50-47)35-25-23-31-13-5-7-15-33(31)29-35/h1-29H
InChIKeyQNKLXAWEYCUDSA-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.71
Rot. Bonds4

About 12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole

12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 59365869) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
PubChem CID59365869
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4c32)cc1
InChIInChI=1S/C47H29N5/c1-2-16-36(17-3-1)51-41-20-10-8-18-37(41)39-26-27-40-38-19-9-11-21-42(38)52(44(40)43(39)51)47-49-45(34-24-22-30-12-4-6-14-32(30)28-34)48-46(50-47)35-25-23-31-13-5-7-15-33(31)29-35/h1-29H
InChIKeyQNKLXAWEYCUDSA-UHFFFAOYSA-N
XLogP11.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 58556525
11-[4-naphthalen-2-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-5-[7-[4-naphthalen-2-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12-phenylindolo[2,3-a]carbazole
CID 166947040
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 169037222
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-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 122523984
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 157430170
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 146642309
12-[4-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 165057639
5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 58029103
1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807703

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole (CID 59365869) is 12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4c32)cc1.
What is the InChIKey of 12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is QNKLXAWEYCUDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-2-16-36(17-3-1)51-41-20-10-8-18-37(41)39-26-27-40-38-19-9-11-21-42(38)52(44(40)43(39)51)47-49-45(34-24-22-30-12-4-6-14-32(30)28-34)48-46(50-47)35-25-23-31-13-5-7-15-33(31)29-35/h1-29H.
What are the key properties of 12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 663.78 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 59365869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).