9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole

C61H39N5 — CID 168807767

IUPAC9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c7ccccc7n(-c7ccc8ccccc8c7)c56)n4)cc3)cc2)cc1
InChIInChI=1S/C61H39N5/c1-3-14-40(15-4-1)42-26-28-43(29-27-42)44-30-32-46(33-31-44)60-62-59(45-17-5-2-6-18-45)63-61(64-60)48-35-37-56-53(39-48)51-21-10-12-24-55(51)66(56)57-25-13-22-52-50-20-9-11-23-54(50)65(58(52)57)49-36-34-41-16-7-8-19-47(41)38-49/h1-39H
InChIKeyBMDOEAYDQRXOSS-UHFFFAOYSA-N
MW842.02 g/mol
LogP15.55
Rot. Bonds7

About 9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole

9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole (PubChem CID 168807767) has the molecular formula C61H39N5 and a molecular weight of 842.02 g/mol. Its IUPAC name is 9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
PubChem CID168807767
Molecular FormulaC61H39N5
Molecular Weight842.02 g/mol
Exact Mass841.32
IUPAC Name9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c7ccccc7n(-c7ccc8ccccc8c7)c56)n4)cc3)cc2)cc1
InChIInChI=1S/C61H39N5/c1-3-14-40(15-4-1)42-26-28-43(29-27-42)44-30-32-46(33-31-44)60-62-59(45-17-5-2-6-18-45)63-61(64-60)48-35-37-56-53(39-48)51-21-10-12-24-55(51)66(56)57-25-13-22-52-50-20-9-11-23-54(50)65(58(52)57)49-36-34-41-16-7-8-19-47(41)38-49/h1-39H
InChIKeyBMDOEAYDQRXOSS-UHFFFAOYSA-N
XLogP15.55
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.02
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156531291
9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807697
1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807703
1-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459383
1-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807774
9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole
CID 168807795
9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807835
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913
3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 162264966
1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170097695
5-naphthalen-2-yl-12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240395
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
The IUPAC name of 9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole (CID 168807767) is 9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole.
What is the SMILES notation for 9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
The canonical SMILES for 9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c7ccccc7n(-c7ccc8ccccc8c7)c56)n4)cc3)cc2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
The InChIKey is BMDOEAYDQRXOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N5/c1-3-14-40(15-4-1)42-26-28-43(29-27-42)44-30-32-46(33-31-44)60-62-59(45-17-5-2-6-18-45)63-61(64-60)48-35-37-56-53(39-48)51-21-10-12-24-55(51)66(56)57-25-13-22-52-50-20-9-11-23-54(50)65(58(52)57)49-36-34-41-16-7-8-19-47(41)38-49/h1-39H.
What are the key properties of 9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole has a molecular weight of 842.02 g/mol, XLogP of 15.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole is sourced from PubChem (CID 168807767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).