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

C55H35N5 — CID 168807697

IUPAC9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4c4ccccc4n5-c4cccc5c6ccccc6n(-c6ccc7ccccc7c6)c45)n3)c2)cc1
InChIInChI=1S/C55H35N5/c1-3-16-36(17-4-1)39-22-13-23-41(34-39)54-56-53(38-19-5-2-6-20-38)57-55(58-54)46-27-15-30-49-51(46)45-25-10-12-29-48(45)60(49)50-31-14-26-44-43-24-9-11-28-47(43)59(52(44)50)42-33-32-37-18-7-8-21-40(37)35-42/h1-35H
InChIKeyXDUVVSRASKFCNC-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.89
Rot. Bonds6

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

9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole (PubChem CID 168807697) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
PubChem CID168807697
Molecular FormulaC55H35N5
Molecular Weight765.92 g/mol
Exact Mass765.29
IUPAC Name9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4c4ccccc4n5-c4cccc5c6ccccc6n(-c6ccc7ccccc7c6)c45)n3)c2)cc1
InChIInChI=1S/C55H35N5/c1-3-16-36(17-4-1)39-22-13-23-41(34-39)54-56-53(38-19-5-2-6-20-38)57-55(58-54)46-27-15-30-49-51(46)45-25-10-12-29-48(45)60(49)50-31-14-26-44-43-24-9-11-28-47(43)59(52(44)50)42-33-32-37-18-7-8-21-40(37)35-42/h1-35H
InChIKeyXDUVVSRASKFCNC-UHFFFAOYSA-N
XLogP13.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole
CID 168764938
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
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
1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170097695
1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807728
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
CID 157305753
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156531291
1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
CID 168807681
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156530949
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
CID 160854312
5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621071

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
The IUPAC name of 9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole (CID 168807697) is 9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole.
What is the SMILES notation for 9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
The canonical SMILES for 9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4c4ccccc4n5-c4cccc5c6ccccc6n(-c6ccc7ccccc7c6)c45)n3)c2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
The InChIKey is XDUVVSRASKFCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-3-16-36(17-4-1)39-22-13-23-41(34-39)54-56-53(38-19-5-2-6-20-38)57-55(58-54)46-27-15-30-49-51(46)45-25-10-12-29-48(45)60(49)50-31-14-26-44-43-24-9-11-28-47(43)59(52(44)50)42-33-32-37-18-7-8-21-40(37)35-42/h1-35H.
What are the key properties of 9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?
9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole has a molecular weight of 765.92 g/mol, XLogP of 13.89, 6 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-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole is sourced from PubChem (CID 168807697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).