9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole

C51H34N4 — CID 131997783

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C51H34N4/c1-7-21-35(22-8-1)43-44(36-23-9-2-10-24-36)46(38-27-13-4-14-28-38)48-47(45(43)37-25-11-3-12-26-37)41-33-19-20-34-42(41)55(48)51-53-49(39-29-15-5-16-30-39)52-50(54-51)40-31-17-6-18-32-40/h1-34H
InChIKeyLZGBGDUEMSOFBF-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.97
Rot. Bonds7

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole (PubChem CID 131997783) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole
PubChem CID131997783
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C51H34N4/c1-7-21-35(22-8-1)43-44(36-23-9-2-10-24-36)46(38-27-13-4-14-28-38)48-47(45(43)37-25-11-3-12-26-37)41-33-19-20-34-42(41)55(48)51-53-49(39-29-15-5-16-30-39)52-50(54-51)40-31-17-6-18-32-40/h1-34H
InChIKeyLZGBGDUEMSOFBF-UHFFFAOYSA-N
XLogP12.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255301
5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799969
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 58142309
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170255512
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole
CID 170255532
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-27-phenyl-9,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),21,23,25-tridecaene
CID 135232286
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenylindolo[3,2-c]carbazole
CID 129141720
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165031430
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-dithia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635110

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole (CID 131997783) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole?
The InChIKey is LZGBGDUEMSOFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-7-21-35(22-8-1)43-44(36-23-9-2-10-24-36)46(38-27-13-4-14-28-38)48-47(45(43)37-25-11-3-12-26-37)41-33-19-20-34-42(41)55(48)51-53-49(39-29-15-5-16-30-39)52-50(54-51)40-31-17-6-18-32-40/h1-34H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole has a molecular weight of 702.86 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole is sourced from PubChem (CID 131997783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).