1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole

C51H33N5 — CID 90321464

IUPAC1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5c(-c6ccccc6)ccc6c7ccccc7n(-c7ccccc7)c56)c43)n2)cc1
InChIInChI=1S/C51H33N5/c1-5-18-34(19-6-1)38-32-33-42-40-27-13-15-30-44(40)55(37-24-11-4-12-25-37)48(42)46(38)43-29-17-28-41-39-26-14-16-31-45(39)56(47(41)43)51-53-49(35-20-7-2-8-21-35)52-50(54-51)36-22-9-3-10-23-36/h1-33H
InChIKeyKHLJXJRSQGKXGI-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole

1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole (PubChem CID 90321464) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole.

Molecular Properties

Compound Name1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole
PubChem CID90321464
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5c(-c6ccccc6)ccc6c7ccccc7n(-c7ccccc7)c56)c43)n2)cc1
InChIInChI=1S/C51H33N5/c1-5-18-34(19-6-1)38-32-33-42-40-27-13-15-30-44(40)55(37-24-11-4-12-25-37)48(42)46(38)43-29-17-28-41-39-26-14-16-31-45(39)56(47(41)43)51-53-49(35-20-7-2-8-21-35)52-50(54-51)36-22-9-3-10-23-36/h1-33H
InChIKeyKHLJXJRSQGKXGI-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 171438087
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
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
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165165404
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
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
11-(3-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200
8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene
CID 118363438
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole?
The IUPAC name of 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole (CID 90321464) is 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole.
What is the SMILES notation for 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole?
The canonical SMILES for 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5c(-c6ccccc6)ccc6c7ccccc7n(-c7ccccc7)c56)c43)n2)cc1.
What is the InChIKey of 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole?
The InChIKey is KHLJXJRSQGKXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-5-18-34(19-6-1)38-32-33-42-40-27-13-15-30-44(40)55(37-24-11-4-12-25-37)48(42)46(38)43-29-17-28-41-39-26-14-16-31-45(39)56(47(41)43)51-53-49(35-20-7-2-8-21-35)52-50(54-51)36-22-9-3-10-23-36/h1-33H.
What are the key properties of 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole?
1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole is sourced from PubChem (CID 90321464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).