11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole

C53H33N5 — CID 166915748

IUPAC11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)c4ccccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C53H33N5/c1-3-17-35(18-4-1)51-54-52(56-53(55-51)44-26-15-29-48-49(44)43-25-12-14-28-46(43)57(48)36-19-5-2-6-20-36)42-32-33-47(39-23-10-9-22-38(39)42)58-45-27-13-11-24-40(45)41-31-30-34-16-7-8-21-37(34)50(41)58/h1-33H
InChIKeyUZKFXCFSESJITI-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.37
Rot. Bonds5

About 11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole

11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole (PubChem CID 166915748) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole
PubChem CID166915748
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)c4ccccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C53H33N5/c1-3-17-35(18-4-1)51-54-52(56-53(55-51)44-26-15-29-48-49(44)43-25-12-14-28-46(43)57(48)36-19-5-2-6-20-36)42-32-33-47(39-23-10-9-22-38(39)42)58-45-27-13-11-24-40(45)41-31-30-34-16-7-8-21-37(34)50(41)58/h1-33H
InChIKeyUZKFXCFSESJITI-UHFFFAOYSA-N
XLogP13.37
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166915654
11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109509
18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 139555597
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 155473781
12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165625
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621051
14-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-naphthalen-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 158953256
11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 135245189
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 161196328
11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155477166
4-[4-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736762
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165871

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole?
The IUPAC name of 11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole (CID 166915748) is 11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole.
What is the SMILES notation for 11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole?
The canonical SMILES for 11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)c4ccccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole?
The InChIKey is UZKFXCFSESJITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-17-35(18-4-1)51-54-52(56-53(55-51)44-26-15-29-48-49(44)43-25-12-14-28-46(43)57(48)36-19-5-2-6-20-36)42-32-33-47(39-23-10-9-22-38(39)42)58-45-27-13-11-24-40(45)41-31-30-34-16-7-8-21-37(34)50(41)58/h1-33H.
What are the key properties of 11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole?
11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole has a molecular weight of 739.88 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole is sourced from PubChem (CID 166915748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).